SCHEMBL941178

SCHEMBL941178

COc1cc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)ccc1OCC(C)(C)OC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.44
MAPT P10636 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL12254026 0.89 MCHR1 (0.48) MCHR1MAPTRXFP1
SCHEMBL941150 0.89 MCHR1 (0.47) MCHR1MAPTRXFP1
Hydrochloric Acid SCHEMBL9995177 0.88 MCHR1 (0.47) MCHR1MAPTRXFP1
SCHEMBL1360137 0.85 MCHR1 (0.43) MCHR1MAPTRXFP1
SCHEMBL12145799 0.84 MCHR1 (0.61) MCHR1
SCHEMBL12143932 0.84 MCHR1 (0.52) MCHR1MAPTRXFP1
Hydrochloric Acid SCHEMBL9995180 0.81 MCHR1 (0.47) MCHR1MAPTRXFP1
SCHEMBL12254025 0.81 RXFP1 (0.40) MCHR1MAPTRXFP1
SCHEMBL12254027 0.80 MCHR1 (0.47) MCHR1RXFP1
SCHEMBL12144362 0.80 MCHR1 (0.45) MCHR1MAPTRXFP1

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 11 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-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-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-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
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US 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 1/4885MAPT 2398/4885RXFP1 48/4885
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R MCHR1 1/4885MAPT 2461/4885RXFP1 52/4885
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R MCHR1 1/4885MAPT 2461/4885RXFP1 52/4885

“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.