SCHEMBL3238111

SCHEMBL3238111

FC(F)(F)C(Cc1ccccc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
TAAR1 Q96RJ0 4/20 0.44
SLC6A2 P23975 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CPA1 P15085 1/20 0.44
CYP1A2 P05177 1/20 0.43
SLC18A2 Q05940 1/20 0.41
ANPEP P15144 1/20 0.41
CYP2D6 P10635 1/20 0.41
ACE P12821 1/20 0.40
CES1 P23141 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 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
SCHEMBL16034061 0.78 EPHX1 (0.46) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL6787716 0.76 KDM4E (0.39) EPHX1CPA1CYP1A2ACECES1
SCHEMBL2059538 0.76 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5609146 0.76 ACE (0.53) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL6380241 0.76 EPHX1 (0.56) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL838906 0.76 MEN1 (0.46) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10693279 0.76 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7256073 0.76 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5609280 0.76 CPA1 (0.46) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5609144 0.76 EPHX1 (0.44) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372848-B2 N-benzylamino cyclic thioureas; obesity and related disorders; (N-(3-{(4S)-1-[(1S)-2-(benzylamino)-1-methylethyl]-3-[2-(3-fluorophenyl)ethyl]-2-thioxoimidazolidin-4-yl}propyl)guanidine MIXTURE SCIENCES, INC. (US) 2013-02-12 US claimed
EP-1727540-A4 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE UNIV CALIFORNIA (US) 2009-07-22 EP claimed
US-20080255218-A1 Melanin-Concentrating Hormone Receptor Antagonists and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-10-16 US claimed
EP-1727540-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE The Regents Of the University of California (US) 2006-12-06 EP claimed
WO-2005094817-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 WO claimed
JP-59027849-A None JP disclosed
JP-59027838-A None JP disclosed
US-8709704-B2 Pattern forming method using developer containing organic solvent and rinsing solution for use in the pattern forming method FUJIFILM CORPORATION (JP) 2014-04-29 US disclosed
US-8372848-B2 N-benzylamino cyclic thioureas; obesity and related disorders; (N-(3-{(4S)-1-[(1S)-2-(benzylamino)-1-methylethyl]-3-[2-(3-fluorophenyl)ethyl]-2-thioxoimidazolidin-4-yl}propyl)guanidine MIXTURE SCIENCES, INC. (US) 2013-02-12 US disclosed
US-20120322007-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2012-12-20 US disclosed
US-20110229832-A1 PATTERN FORMING METHOD USING DEVELOPER CONTAINING ORGANIC SOLVENT AND RINSING SOLUTION FOR USE IN THE PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2011-09-22 US disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
EP-1727540-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE The Regents Of the University of California (US) 2006-12-06 EP disclosed
WO-2005094817-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 WO disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-4567293-A ANTIINFLAMMATORY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1986-01-28 US disclosed
JP-S5927849-A 2-(4-(2-TRIFLUOROMETHYL-3,3,3-TRIFLUOROPROPYL)PHENYL) PROPIONIC ACID OR ITS SALT AND ANTIPHLOGISTIC AGENT CONTAINING SAID COMPOUND KUREHA CHEM IND CO LTD 1984-02-14 JP disclosed
JP-S5927838-A 3,3,3-TRIFLUORO-2-TRIFLUOROMETHYLPROPYLBENZENE AND ITS PREPARATION KUREHA CHEM IND CO LTD 1984-02-14 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 (3 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-20110229832-A1 PATTERN FORMING METHOD USING DEVELOPER CONTAINING ORGANIC SOLVENT AND RINSING SOLUTION FOR USE IN THE PATTERN FORMING METHOD RER1, RARA, RARG EPHX1 416/4885TAAR1 2341/4885SLC6A2 3795/4885
US-20080255218-A1 Melanin-Concentrating Hormone Receptor Antagonists and Methods of Use MCHR1, MCHR2, MC1R EPHX1 3325/4885TAAR1 51/4885SLC6A2 203/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 EPHX1 3756/4885TAAR1 436/4885SLC6A2 1969/4885

“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.