SCHEMBL16874836

SCHEMBL16874836

COc1ccc(C2(O)CCN(C(=O)O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.59
OPRK1 P41145 3/20 0.59
OPRL1 P41146 3/20 0.59
OPRD1 P41143 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TET3 O43151 1/20 0.52
FBXL19 Q6PCT2 1/20 0.52
CXXC5 Q7LFL8 1/20 0.52
TET1 Q8NFU7 1/20 0.52
KDM2B Q8NHM5 1/20 0.52
CXXC4 Q9H2H0 1/20 0.52
KDM2A Q9Y2K7 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1581919 0.96 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL16874714 0.94 HSD11B1 (0.56) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL8319710 0.88 SMN1; SMN2 (0.57) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL16874757 0.84 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL23647557 0.83 KMT2A (0.51) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL9529108 0.82 APP (0.59) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL2588266 0.82 ALDH1A1 (0.73) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL5371705 0.82 OPRM1 (0.55) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL6802425 0.81 ALDH1A1 (0.55) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2
SCHEMBL9393994 0.81 SMN1; SMN2 (0.52) OPRM1OPRK1OPRL1OPRD1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 US disclosed
US-20200297742-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2020-09-24 US disclosed
EP-3677578-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS Bristol-Myers Squibb Company (US) 2020-07-08 EP disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 US disclosed
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190314392-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 US disclosed
US-20190125770-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 US disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 US disclosed
US-20180250316-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2018-09-06 US disclosed
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-09-06 US disclosed
EP-3092224-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2016-11-16 EP disclosed
EP-3092223-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS Bristol-Myers Squibb Company (US) 2016-11-16 EP disclosed
US-20160081995-A1 Selective NR2B Antagonists BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-20160030456-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-02-04 US disclosed
US-9221796-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-29 US disclosed
US-9187506-B2 (R)-3-((3S,4S)-3-fluoro-4-(4-hydroxyphenyl)piperidin-1-yl)-1-(4-methylbenzyl)pyrrolidin-2-one and its prodrugs for the treatment of psychiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-17 US disclosed
WO-2015105929-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
WO-2015105772-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-16 WO disclosed
US-20150191496-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180250316-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B OPRM1 46/4885OPRK1 36/4885OPRL1 35/4885
US-20190314392-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B OPRM1 46/4885OPRK1 36/4885OPRL1 35/4885
US-20200297742-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B OPRM1 46/4885OPRK1 36/4885OPRL1 35/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRK1 48/4885OPRL1 28/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRK1 48/4885OPRL1 28/4885
US-20190125770-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B OPRM1 46/4885OPRK1 36/4885OPRL1 35/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRK1 48/4885OPRL1 28/4885
US-20150191496-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B OPRM1 46/4885OPRK1 36/4885OPRL1 35/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRK1 48/4885OPRL1 28/4885
US-20160030456-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B OPRM1 46/4885OPRK1 36/4885OPRL1 35/4885
US-20160081995-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRK1 48/4885OPRL1 28/4885
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRK1 48/4885OPRL1 28/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A OPRM1 57/4885OPRK1 48/4885OPRL1 28/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.