SCHEMBL6802425

SCHEMBL6802425

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
BACE1 P56817 2/20 0.54
CTSD P07339 1/20 0.54
CTSE P14091 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
GPR119 Q8TDV5 1/20 0.52
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
OPRL1 P41146 2/20 0.50
STS P08842 2/20 0.50
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.47
DRD2 P14416 1/20 0.46

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
SCHEMBL16874679 0.95 ALDH1A1 (0.51) ALDH1A1BACE1CTSDCTSESMN1; SMN2
SCHEMBL6159582 0.93 LMNA (0.49) ALDH1A1BACE1CTSDCTSESMN1; SMN2
SCHEMBL7967262 0.89 ALDH1A1 (0.49) ALDH1A1BACE1CTSDCTSESMN1; SMN2
SCHEMBL3138690 0.86 GPR119 (0.46) ALDH1A1BACE1CTSDCTSEGPR119
SCHEMBL16874872 0.86 ALDH1A1 (0.51) ALDH1A1BACE1CTSDCTSESMN1; SMN2
SCHEMBL18432250 0.86 ESR2 (0.48) ALDH1A1SMN1; SMN2GPR119OPRD1OPRK1
SCHEMBL11956931 0.86 GPR119 (0.53) SMN1; SMN2GPR119OPRM1OPRD1OPRK1
SCHEMBL3044892 0.86 PARP10 (0.51) GPR119OPRM1OPRD1OPRK1OPRL1
SCHEMBL3396946 0.86 GPR119 (0.54) ALDH1A1BACE1CTSDCTSEGPR119
SCHEMBL13908097 0.85 BACE1 (0.55) ALDH1A1BACE1CTSDCTSESMN1; 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 71 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-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
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
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-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-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US disclosed
US-8258156-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2012-09-04 US disclosed
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-02 US disclosed
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC, a Delaware Limited Company (BM) 2011-09-15 US disclosed
WO-2009038974-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-03-26 WO disclosed
US-20040077667-A1 Quinazolinone derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1355888-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
WO-2002048117-A1 QUINAZOLINONE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-20 WO disclosed
WO-2000063173-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO 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 (9 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-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 ALDH1A1 848/4885BACE1 1170/4885CTSD 4190/4885
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 ALDH1A1 848/4885BACE1 1170/4885CTSD 4190/4885
US-20110224185-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ALDH1A1 2341/4885BACE1 2310/4885CTSD 1812/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885BACE1 1128/4885CTSD 4104/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885BACE1 1128/4885CTSD 4104/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885BACE1 1128/4885CTSD 4104/4885
US-20040077667-A1 Quinazolinone derivatives PARP1, PARP9, PARP2 ALDH1A1 201/4885BACE1 2205/4885CTSD 2085/4885
US-20120196844-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ALDH1A1 2341/4885BACE1 2310/4885CTSD 1812/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885BACE1 1128/4885CTSD 4104/4885

“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.