SCHEMBL1666064

SCHEMBL1666064

BrCC(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.52
TAAR1 Q96RJ0 1/20 0.52
HRH1 P35367 5/20 0.48
TDP1 Q9NUW8 1/20 0.44
DPP4 P27487 2/20 0.43
TSHR P16473 2/20 0.43
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
F2 P00734 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
GRM7 Q14831 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 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
SCHEMBL8315415 0.80 ACP3 (0.47) TAAR1TSHRALDH1A1
SCHEMBL8317456 0.80 ACP3 (0.51) HTR2AHRH1TSHRALDH1A1MTOR
SCHEMBL9452584 0.79 HTR2A (0.43) HTR2ATAAR1HRH1DPP4TSHR
SCHEMBL1318953 0.77 LMNA (0.61) TSHRRAB9A
SCHEMBL6891173 0.77 LMNA (0.61) TSHRRAB9A
SCHEMBL24164093 0.77 LMNA (0.61) TSHRRAB9A
SCHEMBL3578847 0.77 LMNA (0.61) TSHRRAB9A
SCHEMBL331173 0.77 TRPA1 (0.42) HTR2ATAAR1HRH1DPP4TSHR
SCHEMBL2172475 0.77 HRH1 (0.56) HTR2ATAAR1HRH1TDP1ALDH1A1
SCHEMBL193835 0.75 HTR2A (0.52) HTR2ATAAR1HRH1TDP1DPP4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000188-B2 Monocyclic cyanoenones and methods of use thereof TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-04-07 US disclosed
EP-2309860-B1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF DARTMOUTH COLLEGE (US) 2014-01-08 EP disclosed
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2013-10-17 US disclosed
US-8314137-B2 Monocyclic cyanoenones and methods of use thereof TRUSTESS OF DARTMOUTH COLLEGE (US) 2012-11-20 US disclosed
US-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-11 US disclosed
EP-2352768-A2 CURABLE COMPOSITION FOR IMPRINTS, PATTERNING METHOD AND PATTERN FUJIFILM Corporation (JP) 2011-08-10 EP disclosed
EP-2309860-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF Trustees of Dartmouth College (US) 2011-04-20 EP disclosed
WO-2010064726-A2 CURABLE COMPOSITION FOR IMPRINTS, PATTERNING METHOD AND PATTERN FUJIFILM CORPORATION (JP) 2010-06-10 WO disclosed
WO-2010011782-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-01-28 WO disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 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 (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-20110196007-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 HTR2A 1848/4885TAAR1 1893/4885HRH1 4107/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R HTR2A 288/4885TAAR1 209/4885HRH1 2734/4885
US-20130274480-A1 MONOCYCLIC CYANOENONES AND METHODS OF USE THEREOF HSD17B7, HSD17B12, CYP11B2 HTR2A 1848/4885TAAR1 1893/4885HRH1 4107/4885

“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.