SCHEMBL8524202

SCHEMBL8524202

CC(CCN)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.56
SIGMAR1 Q99720 4/20 0.56
SLC6A2 P23975 2/20 0.56
CYP2A6 P11509 2/20 0.56
MAOA P21397 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
CYP2D6 P10635 1/20 0.52
ALDH1A1 P00352 1/20 0.49
EPHX1 P07099 1/20 0.48
SLC18A2 Q05940 1/20 0.47
HRH1 P35367 1/20 0.46
TRPA1 O75762 1/20 0.45
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44

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
SCHEMBL11990712 1.00 TAAR1 (0.56) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL19628486 0.88 TAAR1 (0.52) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL8512221 0.86 TAAR1 (0.50) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL21242301 0.84 TAAR1 (0.48) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL23934035 0.83 TAAR1 (0.47) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL2736624 0.82 TAAR1 (0.60) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL21755872 0.82 TAAR1 (0.60) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL681082 0.82 TAAR1 (0.60) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL7558271 0.81 TAAR1 (0.46) TAAR1SIGMAR1SLC6A2CYP2A6MAOA
SCHEMBL4785594 0.81 SIGMAR1 (0.64) TAAR1SIGMAR1SLC6A2CYP2A6MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9056396-A None JP disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
WO-2010018867-A1 DI-SUBSTITUTED BENZOPYRANE COMPOUND 日産化学工業株式会社 (JP) 2010-02-18 WO disclosed
EP-0579284-B1 Novel epoxy resins and electrostatographic toner containing the same as a binder MITSUI CHEMICALS INC (JP) 1999-03-24 EP disclosed
EP-0336724-B1 Process for preparing polyol resins MITSUI PETROCHEMICAL IND (JP) 1997-10-01 EP disclosed
JP-H0956396-A PRODUCTION OF OPTICALLY ACTIVE 3-METHYL-2-PHENYLBUTYLAMINE NAGASE & CO LTD 1997-03-04 JP disclosed
US-5401436-A Liquid crystal ASAHI DENKA KOGKO KABUSHIKI KAISHA (JP) 1995-03-28 US disclosed
CN-1025341-C Preparation method of epoxy resin MITSUI PETROCHEMICAL IND CO (JP) 1994-07-06 CN disclosed
EP-0579284-A2 Novel epoxy resins and electrostatographic toner containing the same as a binder MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-01-19 EP disclosed
US-5268435-A Modifying a bisphenol epoxy resin MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-12-07 US disclosed
EP-0107492-B1 HELICHROMIC-SMECTIC LIQUID CRYSTAL COMPOSITIONS AND DISPLAY CELLS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-09 EP disclosed
CN-1034555-A Neo-epoxy resin and with its electrostatographic toner containing as caking agent MITSUI PETROCHEMICAL IND (JP) 1989-08-09 CN disclosed
EP-0317367-A2 Epoxy resins and electrostatographic toner containing the same as binder MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-05-24 EP disclosed
EP-0211600-A2 Polyol resins and coating compositions containing same MITSUI SEKIYU KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1987-02-25 EP disclosed
EP-0044666-B1 HELICHROMIC COMPOUNDS AND DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-29 EP disclosed
US-4514045-A DICHROISM; COMPLETE LIGHT ABSORPTION; LOW VOLTAGE; CONTRAST MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-30 US disclosed
EP-0107492-A2 Helichromic-smectic liquid crystal compositions and display cells MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-02 EP disclosed
US-4394070-A Helichromic compounds and displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1983-07-19 US disclosed
EP-0044666-A2 Helichromic compounds and displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-01-27 EP disclosed
JP-H00956396-A 0001-01-01 JP 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-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 TAAR1 2181/4885SIGMAR1 764/4885SLC6A2 1083/4885

“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.