SCHEMBL6598474

SCHEMBL6598474

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.50
AOC3 Q16853 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAOB P27338 1/20 0.47
BRD4 O60885 1/20 0.44
PKM P14618 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL31476413 0.88 AOC3 (0.50) IGF1RAOC3L3MBTL1MAOBBRD4
SCHEMBL18529828 0.88 AOC3 (0.50) IGF1RAOC3L3MBTL1MAOBBRD4
SCHEMBL2093768 0.88 AOC3 (0.59) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL477338 0.86 AOC3 (0.54) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL27686957 0.86 AOC3 (0.54) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL3470936 0.85 AOC3 (0.50) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL9438783 0.83 LMNA (0.49) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL6442875 0.83 MAPT (0.44) AOC3MAOBTSHRMAPK1
SCHEMBL4822561 0.82 AOC3 (0.54) AOC3L3MBTL1BRD4PKMCHRM2
SCHEMBL5670372 0.82 MAPK1 (0.55) IGF1RAOC3L3MBTL1MAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983251-B1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LTD (GB) 2004-06-23 EP disclosed
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-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 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
EP-0983251-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF Pfizer Limited (GB) 2000-03-08 EP disclosed
WO-1998052929-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LIMITED (GB) 1998-11-26 WO disclosed
US-5364843-A Chlorophenyl methoxybenzyl-4-allylpiperazine dihydrochloride BURROUGHS WELLCOME CO. (US) 1994-11-15 US disclosed
EP-0409406-B1 ARYL-SUBSTITUTED AMINE DERIVATIVES USEFUL IN CANCER THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-08 EP disclosed
US-5124330-A (E)-ethyl 3-(4-chloro-α-(4-methyl-1-piperazinyl)benzyl)cinnamate used for potentiating the effects of antitumor agents and combating multiple drug resistance BURROUGHS WELLCOME COMPANY (US) 1992-06-23 US disclosed
EP-0487502-A2 Pharmaceutically active aryl-substituted amine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-27 EP disclosed
EP-0409406-A2 Aryl-substituted amine derivatives useful in cancer therapy THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 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-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives BCHE, HTR3C, CHRM2 IGF1R 4405/4885AOC3 904/4885L3MBTL1 1747/4885

“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.