SCHEMBL8564961

SCHEMBL8564961

O=C1C(Br)CCN1Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
KCNH2 Q12809 1/20 0.51
GRIN2B Q13224 1/20 0.51
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.44

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
SCHEMBL8564966 1.00 ALDH1A1 (0.53) ALDH1A1POLBKCNH2GRIN2BRAB9A
SCHEMBL1542776 0.85 ALDH1A1 (0.49) ALDH1A1
SCHEMBL1237800 0.84 ACHE (0.45) ALDH1A1KCNH2
SCHEMBL16897847 0.84 ACHE (0.45) ALDH1A1KCNH2
SCHEMBL16874550 0.84 KCNH2 (0.51) KCNH2GRIN2B
SCHEMBL8564264 0.83 DDB1 (0.50) ALDH1A1POLB
SCHEMBL8564268 0.83 DDB1 (0.50) ALDH1A1POLB
SCHEMBL16874845 0.83 TEAD1 (0.43) ALDH1A1POLBKCNH2GRIN2B
SCHEMBL8560210 0.83 KDM4E (0.54) ALDH1A1KCNH2
SCHEMBL8560205 0.83 KDM4E (0.54) ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137543-B Selective NR2B antagonists 百时美施贵宝公司 2021-11-23 CN disclosed
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-10961229-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 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-3362441-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-08-12 EP disclosed
EP-3362441-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-08-12 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
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-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-20150191452-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY 2015-07-09 US 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-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-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-8962638-B2 Piperidine inhibitors of janus kinase 3 AUSPEX PHARMACEUTICALS, INC. (US) 2015-02-24 US disclosed
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
CN-1150950-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1997-06-04 CN disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP 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 (5 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-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 848/4885POLB 2947/4885KCNH2 1238/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885POLB 2801/4885KCNH2 1017/4885
US-10961229-B2 Selective NR2B antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885POLB 2801/4885KCNH2 1017/4885
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 ALDH1A1 848/4885POLB 2947/4885KCNH2 1238/4885
US-20150191452-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A ALDH1A1 2090/4885POLB 2801/4885KCNH2 1017/4885

“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.