SCHEMBL1616468

SCHEMBL1616468

O=C(Cl)c1ccc2[nH]ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.58
CTNNB1 P35222 5/20 0.57
WNT3A P56704 5/20 0.57
RAB9A P51151 3/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
F7 P08709 1/20 0.52
LTA4H P09960 1/20 0.52
F3 P13726 1/20 0.52
AHR P35869 1/20 0.52
NR4A2 P43354 1/20 0.52
USP2 O75604 1/20 0.52
GAA P10253 1/20 0.52
ALOX15 P16050 1/20 0.52
RAD51 Q06609 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL7243647 0.85 ALDH1A1 (0.70) MAPTAHRKDM4EALDH1A1HPGD
SCHEMBL27594531 0.84 TUBB4A (0.67) F2CTNNB1WNT3ARAB9AMAPT
SCHEMBL6447473 0.82 F2 (0.59) F2CTNNB1WNT3ARAB9AMAPT
SCHEMBL105928 0.82 KDM4E (0.72) F2CTNNB1WNT3ARAB9AMAPT
SCHEMBL29540009 0.81 F2 (0.68) F2CTNNB1WNT3ARAB9AMAPT
Hydrochloric Acid SCHEMBL698541 0.81 KDM4E (0.70) F2CTNNB1WNT3ARAB9AMAPT
Bromide SCHEMBL6614789 0.81 KDM4E (0.70) F2CTNNB1WNT3ARAB9AMAPT
SCHEMBL120471 0.81 MAOA (0.66) F2CTNNB1WNT3ARAB9AMAPT
SCHEMBL19470049 0.81 F2 (0.58) F2CTNNB1WNT3ARAB9AMAPT
SCHEMBL27968083 0.81 F2 (0.58) F2CTNNB1WNT3ARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776971-B2 Opioid and opioid-like compounds and uses thereof TAIWANJ PHARMACEUTICALS CO., LTD. (TW) 2017-10-03 US disclosed
CN-103405431-B Opioid and opioid-like compounds and uses thereof Taiwan J Pharmaceutical Co.,Ltd. (CN) 2016-04-13 CN disclosed
EP-2987788-A1 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF Taiwanj Pharmaceuticals Co., Ltd. (TW) 2016-02-24 EP disclosed
EP-1506174-B1 USE OF NALTREXONE FOR TREATING KIDNEY AND LIVER DAMAGE TAIWANJ PHARMACEUTICALS CO LTD (TW) 2015-09-30 EP disclosed
CN-103992317-A Synthesis method of 5-formonitrile-pyrrole [1,2-a ] quinoline derivative NANJING UNIVERSITY OF TECHNOLOGY 2014-08-20 CN disclosed
CN-103992316-A Method for synthesizing 5-formonitrile-pyrrole [1,2-a ] quinoline derivative NANJING UNIVERSITY OF TECHNOLOGY 2014-08-20 CN disclosed
CN-103405431-A Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES INC 2013-11-27 CN disclosed
CN-1653050-B Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES INC 2013-04-24 CN disclosed
US-8404706-B2 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. (US) 2013-03-26 US disclosed
CN-102711470-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 CN disclosed
US-7501433-B2 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. (US) 2009-03-10 US disclosed
US-20050261329-A1 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. 2005-11-24 US disclosed
CN-1653050-A Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES INC (US) 2005-08-10 CN disclosed
US-20050107415-A1 Opioid and opioid-like compounds and uses thereof JENKEN BIOSCIENCES, INC. 2005-05-19 US disclosed
EP-1506174-A2 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF Jenken Biosciences, Inc. (US) 2005-02-16 EP disclosed
WO-2003097608-A2 OPIOID AND OPIOID-LIKE COMPOUNDS AND USES THEREOF JENKEN BIOSCIENCES, INC. (US) 2003-11-27 WO disclosed
EP-0700389-A1 ANTI-ARRHYTHMIC N-SUBSTITUTED 3-BENZAZEPINES OR ISOQUINOLINES SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1996-03-13 EP disclosed
EP-0700385-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1996-03-13 EP disclosed
WO-1994027967-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1994-12-08 WO disclosed
WO-1994027971-A1 ANTI-ARRHYTHMIC N-SUBSTITUTED 3-BENZAZEPINES OR ISOQUINOLINES SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1994-12-08 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 (2 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-20050107415-A1 Opioid and opioid-like compounds and uses thereof OPRL1, OPRK1, OPRM1 F2 2481/4885CTNNB1 3331/4885WNT3A 1200/4885
US-20050261329-A1 Opioid and opioid-like compounds and uses thereof OPRK1, OPRL1, OPRM1 F2 2645/4885CTNNB1 3797/4885WNT3A 2274/4885

“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.