SCHEMBL1740643

SCHEMBL1740643

OC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.50
OPRK1 P41145 3/20 0.50
OPRD1 P41143 2/20 0.50
OPRL1 P41146 2/20 0.50
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
DRD2 P14416 3/20 0.41
HRH3 Q9Y5N1 2/20 0.40
DRD3 P35462 2/20 0.40
DRD4 P21917 1/20 0.40
NR1I2 O75469 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL1738752 0.98 OPRM1 (0.49) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL748761 0.95 OPRM1 (0.50) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL15573716 0.90 OPRM1 (0.53) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL12526871 0.90 OPRM1 (0.53) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL5821025 0.90 OPRM1 (0.44) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL5751317 0.88 OPRM1 (0.43) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL20335391 0.81 OPRM1 (0.44) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL25356567 0.80 OPRM1 (0.46) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL22448146 0.80 OPRM1 (0.46) OPRM1OPRK1OPRD1OPRL1CA12
SCHEMBL4467180 0.80 OPRM1 (0.46) OPRM1OPRK1OPRD1OPRL1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708334-B2 Substituted 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole and 4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-07-18 US disclosed
EP-3134406-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS Dart Neuroscience (Cayman) Ltd (KY) 2017-03-01 EP disclosed
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE LLC 2017-02-16 US disclosed
WO-2015164520-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C] PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO [4,3-C] PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2015-10-29 WO disclosed
US-8901152-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC. (US) 2014-12-02 US disclosed
CN-103641823-A Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBVIE INC 2014-03-19 CN disclosed
US-8444877-B2 High dielectric constant liquid crystal VVI BRIGHT CHINA LTD. (CN) 2013-05-21 US disclosed
US-8444877-B2 High dielectric constant liquid crystal VVI BRIGHT CHINA LTD. (CN) 2013-05-21 US disclosed
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBVIE INC. 2012-11-01 US disclosed
US-8242139-B2 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES (US) 2012-08-14 US disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN disclosed
EP-1768975-A2 PYRIDYL PIPERAZINES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Inc. (US) 2007-04-04 EP disclosed
CN-1934081-A Novel benayl(idene)-lactam derivatives PFIZER (US) 2007-03-21 CN disclosed
EP-1719746-A1 OPTICAL RESOLVER, PROCESS FOR PRODUCING OPTICALLY ACTIVE ISOMER, AND 1,5-SUBSTITUTED BICYCLO (3.3.0) -2-OXAOCTANE COMPOUND ZEON CORPORATION (JP) 2006-11-08 EP disclosed
WO-2006106416-A1 PYRIDIL-LACTAMS AND THEIR USE 5 -HTl RECEPTORS LIGAN PFIZER PRODUCTS INC. (US) 2006-10-12 WO disclosed
WO-2006048727-A1 PIPERAZINYLPHENALKYL LACTAM/AMINE LIGANDS FOR THE 5HT1B RECEPTOR PFIZER PRODUCTS INC. (US) 2006-05-11 WO disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US 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 (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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP OPRM1 1881/4885OPRK1 610/4885OPRD1 914/4885
US-20060025421-A1 Pyridyl piperazines for the treatment of CNS disorders TPH2, HTR1A, TPH1 OPRM1 90/4885OPRK1 100/4885OPRD1 69/4885
US-20050245521-A1 Novel benayl(idene)-lactam derivatives HTR1E, HTR1D, HTR1A OPRM1 37/4885OPRK1 22/4885OPRD1 15/4885
US-20120277223-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME DGAT1, DGAT2, LCAT OPRM1 4091/4885OPRK1 3455/4885OPRD1 2803/4885
US-20170044167-A1 SUBSTITUTED 2,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE AND 4,5,6,7-TETRAHYDRO-2H-PYRAZOLO[4,3-C]PYRIDINE COMPOUNDS AS GLYT1 INHIBITORS GLRA1, GRIA3, GRIA4 OPRM1 237/4885OPRK1 49/4885OPRD1 172/4885

“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.