SCHEMBL460018

SCHEMBL460018

CC(CN)(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.65
MAPK1 P28482 1/20 0.44
KCNN4 O15554 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PRMT1 Q99873 1/20 0.43
KIF11 P52732 4/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
SLC6A2 P23975 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
NPY2R P49146 1/20 0.40

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
Hydrochloric Acid SCHEMBL3241793 0.97 TAAR1 (0.62) TAAR1MAPK1KCNN4CYP2D6CYP1A2
SCHEMBL2911752 0.89 TAAR1 (0.54) TAAR1MAPK1CYP3A4KIF11MAPT
SCHEMBL30911317 0.82 KCNA5 (0.47) TAAR1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL30911318 0.82 KCNA5 (0.47) TAAR1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5221334 0.80 TAAR1 (0.54) TAAR1KCNN4CYP2D6CYP3A4KIF11
SCHEMBL323323 0.79 TAAR1 (1.00) TAAR1MAPK1KCNN4CYP2D6CYP1A2
SCHEMBL9505717 0.79 TAAR1 (0.65) TAAR1MAPK1KCNN4CYP2D6CYP1A2
SCHEMBL10505310 0.79 TAAR1 (0.65) TAAR1MAPK1KCNN4CYP2D6CYP1A2
SCHEMBL24726695 0.78 TAAR1 (0.43) TAAR1MAPK1MAPTALDH1A1
SCHEMBL77069 0.77 TAAR1 (0.62) TAAR1MAPK1KCNN4CYP2D6CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2007017652-A2 ARYLAKYLAMINES FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 SERENEX, INC. (US) 2006-04-06 US claimed
WO-2006034235-A2 SUBSTITUTED QUINOLINE AND QUINAZOLINE INHIBITORS OF QUINONE REDUCTASE 2 SERENEX, INC. (US) 2006-03-30 WO claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-12398151-B2 Sumo inhibitor compounds and uses thereof Suvalent Therapeutics, Inc. (US) 2025-08-26 US disclosed
CN-114040947-B Cationic electrodeposition coating composition 日涂汽车涂料有限公司 2023-02-28 CN disclosed
US-20220177488-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF CIT THERAPEUTICS LLC 2022-06-09 US disclosed
US-20220177488-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF CIT THERAPEUTICS LLC 2022-06-09 US disclosed
CN-114040947-A Cationic electrodeposition coating composition 日涂汽车涂料有限公司 2022-02-11 CN disclosed
US-4649204-A ANTIDEPRESSANTS MCNEILAB, INC. (US) 1987-03-10 US disclosed
US-4548994-A IMMOBILIZATION ON AFFINITY RESIN THE UPJOHN COMPANY (US) 1985-10-22 US disclosed
EP-0057600-B1 AFFINITY RESINS AND THEIR USE IN ISOLATING BACTERIAL LUCIFERASE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1985-05-08 EP disclosed
EP-0139358-A2 N6-substituted diarylalkyl adenosines, processes for their production and pharmaceutical compositions comprising the same WARNER-LAMBERT COMPANY (US) 1985-05-02 EP disclosed
US-4412001-A IMMOBILIZATION BY BINDING TO A LIGAND-SPACER-SUPPORT; WASHING; DESORPTION; PURIFICATION BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1983-10-25 US disclosed
EP-0057600-A2 Affinity resins and their use in isolating bacterial luciferase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1982-08-11 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 (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-20060074105-A1 Substituted quinoline and quinazoline inhibitors of quinone reductase 2 NQO2, QTRT1, QTRT2 TAAR1 3707/4885MAPK1 2997/4885KCNN4 3727/4885
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD TAAR1 2349/4885MAPK1 1332/4885KCNN4 3955/4885
US-12398151-B2 Sumo inhibitor compounds and uses thereof SUMO1, SUMO2, SUMO3 TAAR1 4690/4885MAPK1 2107/4885KCNN4 4843/4885
US-20220177488-A1 SUMO INHIBITOR COMPOUNDS AND USES THEREOF SUMO1, SUMO2, SUMO3 TAAR1 4690/4885MAPK1 2107/4885KCNN4 4843/4885

“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.