SCHEMBL942497

SCHEMBL942497

COc1cc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)ccc1OC[C@H](OC(=O)C(N)C(C)C)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.39
CMA1 P23946 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BRAF P15056 1/20 0.33
KCNH2 Q12809 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
ABCB1 P08183 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL942499 1.00 MCHR1 (0.39) MCHR1CMA1MAPTRXFP1BRAF
SCHEMBL12254039 0.93 MCHR1 (0.40) MCHR1CMA1MAPTRXFP1BRAF
SCHEMBL941942 0.93 MCHR1 (0.40) MCHR1CMA1MAPTRXFP1BRAF
SCHEMBL12145943 0.93 MCHR1 (0.40) MCHR1CMA1MAPTRXFP1BRAF
SCHEMBL12144362 0.88 MCHR1 (0.45) MCHR1CMA1MAPTRXFP1BRAF
SCHEMBL12146312 0.87 MCHR1 (0.45) MCHR1CMA1MAPTRXFP1BRAF
SCHEMBL12253942 0.84 MCHR1 (0.46) MCHR1CMA1MAPTRXFP1KCNH2
SCHEMBL12145222 0.84 MCHR1 (0.44) MCHR1RXFP1KCNH2
SCHEMBL12145057 0.83 MAPT (0.38) MCHR1MAPTRXFP1KCNH2
Hydrochloric Acid SCHEMBL9995180 0.82 MCHR1 (0.47) MCHR1CMA1MAPTRXFP1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067420-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-8012984-B2 Substituted pyrazinone melanin concentrating hormone receptor-1 antagonists and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-06 US disclosed
US-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-06-16 US disclosed
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2173725-A2 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS Bristol-Myers Squibb Company (US) 2010-04-14 EP disclosed
WO-2009009501-A2 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US 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-20110144060-A1 SUBSTITUTED PYRAZINONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MC1R, MCHR2 MCHR1 1/4885CMA1 1154/4885MAPT 2398/4885
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R MCHR1 1/4885CMA1 856/4885MAPT 2461/4885
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R MCHR1 1/4885CMA1 856/4885MAPT 2461/4885

“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.