SCHEMBL6598167

SCHEMBL6598167

COc1cccc(C(O)(CN)c2ccc(Br)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
KIF11 P52732 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.39
CYP19A1 P11511 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.38
IGF1R P08069 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.37
IDO1 P14902 1/20 0.36
AGXT P21549 1/20 0.36

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
SCHEMBL7192931 0.90 MAOB (0.46) MAOBKIF11SMN1; SMN2LMNAGAA
SCHEMBL26930170 0.78 KIF11 (0.44) KIF11SMN1; SMN2TAAR1ALDH1A1KMT2A
SCHEMBL6599652 0.76 SMN1; SMN2 (0.51) MAOBSMN1; SMN2LMNAGAAHTT
SCHEMBL7125526 0.75 KIF11 (0.45) KIF11SMN1; SMN2LMNAGAAHTT
SCHEMBL25981557 0.74 MAOB (0.47) MAOBKIF11SMN1; SMN2NPSR1POLB
SCHEMBL2285005 0.72 CYP1A2 (0.43) MAOBKIF11SMN1; SMN2LMNAGAA
SCHEMBL15552915 0.72 KIF11 (0.53) MAOBKIF11NPSR1TAAR1ALDH1A1
SCHEMBL1479166 0.72 TAAR1 (0.53) MAOBKIF11TAAR1ALDH1A1CYP3A4
SCHEMBL2283180 0.71 MAOB (0.46) MAOBKIF11SMN1; SMN2LMNAGAA
SCHEMBL22932513 0.70 ACHE (0.50) KIF11LMNATAAR1KCNH2ALDH1A1

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-1140835-B1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PROD INC (US) 2004-05-12 EP disclosed
US-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives PFIZER INC 2004-04-01 US disclosed
US-6586431-B1 Treating drug abuse and drug dependence; nervous system and gastrointestinal disorders PFIZER INC 2003-07-01 US disclosed
US-6503905-B1 Treating nervous system and gastrointestinal disorders; analgesics, antiasthmatics PFIZER INC 2003-01-07 US disclosed
EP-1140835-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES Pfizer Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039091-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-07-06 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 (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-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives BCHE, HTR3C, CHRM2 MAOB 144/4885KIF11 3848/4885SMN1; SMN2 641/4885

“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.