SCHEMBL1739685

SCHEMBL1739685

COC1(c2ccc(Br)cc2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
LIG1 P18858 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALOX5 P09917 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DRD3 P35462 2/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
WDR5 P61964 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19128530 0.96 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL12845017 0.94 ALOX5 (0.38) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL3576114 0.91 OPRM1 (0.40) OPRM1OPRD1OPRK1OPRL1CYP2A6
SCHEMBL19458949 0.82 MMP2 (0.35) OPRM1OPRD1OPRK1OPRL1ALOX5
SCHEMBL8186215 0.82 ALOX5 (0.48) OPRM1OPRD1OPRK1OPRL1ALOX5
Hydrochloric Acid SCHEMBL19459106 0.81 MMP2 (0.35) OPRM1OPRD1OPRK1OPRL1DRD3
SCHEMBL12665882 0.81 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL20790283 0.79 SLC6A4 (0.47) OPRM1OPRD1OPRK1OPRL1
SCHEMBL27926735 0.79 DRD2 (0.44) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL16377396 0.79 ALDH1A1 (0.47) OPRM1OPRD1OPRK1OPRL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104245688-A Indole and indazole compounds that activate ampk PFIZER 2014-12-24 CN disclosed
CN-103003266-A Hydroxyalkylbenzylpyrazoles and their use for the treatment of hyperproliferative and angiogenic diseases BAYER IP GMBH 2013-03-27 CN disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-102282142-A Substituted aryl compounds and their use 2011-12-14 CN disclosed
EP-1727794-B1 NOVEL BENZYL(IDENE)-LACTAM DERIVATIVES PFIZER PROD INC (US) 2011-11-16 EP disclosed
US-20110263484-A1 SINGLE CHAIN FC TYPE III INTERFERONS AND METHODS OF USING SAME ZYMOGENETICS, INC. 2011-10-27 US disclosed
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7479559-B2 3-[-2-(Piperazin-1-yl)benzyl]pyrrolidin-2-one derivatives; antidepressants, anxiolytic agents; obsessive compulsive disorder, psychological disorders, phobias; 5-HT1 agonist or antagonists; side effect reduction, in particular cardiac QTc prolongation; hydrogenation PFIZER INC. (US) 2009-01-20 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP disclosed
WO-2006106416-A1 PYRIDIL-LACTAMS AND THEIR USE 5 -HTl RECEPTORS LIGAN PFIZER PRODUCTS INC. (US) 2006-10-12 WO disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO disclosed
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders PFIZER INC 2006-02-02 US disclosed
WO-2006000912-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-01-05 WO disclosed
US-20050245521-A1 Novel benayl(idene)-lactam derivatives PFIZER INC. 2005-11-03 US 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 (4 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP OPRM1 1881/4885OPRD1 914/4885OPRK1 610/4885
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders TPH2, HTR1A, TPH1 OPRM1 90/4885OPRD1 69/4885OPRK1 100/4885
US-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A OPRM1 37/4885OPRD1 15/4885OPRK1 22/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC OPRM1 549/4885OPRD1 747/4885OPRK1 673/4885

“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.