SCHEMBL6961971

SCHEMBL6961971

COCc1ccc2ccccc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NCEH1 Q6PIU2 3/20 0.41
TSHR P16473 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRNP P04156 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2A6 P11509 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL500350 0.86 SMN1; SMN2 (0.41) POLBSMN1; SMN2HPGDMAPTNPC1
SCHEMBL26257708 0.81 MAPT (0.52) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL14591514 0.79 TSHR (0.50) HPGDMAPTNPC1RAB9ANCEH1
SCHEMBL736665 0.79 HSD17B10 (0.41) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL11255632 0.79 MAPT (0.38) SMN1; SMN2MAPTNPC1RAB9ATSHR
SCHEMBL30219496 0.79 HSD17B10 (0.38) HPGDMAPTNPC1RAB9ATSHR
SCHEMBL8850092 0.79 GABRA1 (0.52) POLBSMN1; SMN2HPGDMAPTNPC1
SCHEMBL30640504 0.79 GABRA1 (0.52) POLBSMN1; SMN2HPGDMAPTNPC1
SCHEMBL10391564 0.78 ALDH1A1 (0.46) POLBSMN1; SMN2HPGDMAPTNPC1
SCHEMBL20020372 0.78 MAPT (0.40) SMN1; SMN2MAPTNPC1RAB9ATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863136-B1 Derivatives of azetidine and pyrrolidine AKZO NOBEL NV (NL) 2003-09-24 EP disclosed
US-6403573-B1 BICYCLIC-CARBO OR HETERO OXY OR BICYCLIC CARBO OR HETERO SULFIDE CONTAINING PYRROLIDINE/AZETIDINE DERIVATIVES USED AS ANTIDEPRESSANT OR PREVENTING SEROTONIN-RELATED DISEASES AKZO NOBEL N.V. (NL) 2002-06-11 US disclosed
US-20020040016-A1 Derivatives of azetidine and pyrrolidine MERCK SHARP & DOHME B.V. (NL) 2002-04-04 US disclosed
US-6281243-B1 ANTIDEPRESSANTS, ANTISEROTONINE AGENT AKZO NOBEL N.V. (NL) 2001-08-28 US disclosed
WO-1999043647-A1 DERIVATIVES OF AZETIDINE AND PYRROLIDINE AKZO NOBEL N.V. (NL) 1999-09-02 WO disclosed
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 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 (1 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-20020040016-A1 Derivatives of azetidine and pyrrolidine TPH1, TPH2, HTR1D POLB 2596/4885SMN1; SMN2 1595/4885HPGD 557/4885

“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.