SCHEMBL940939

SCHEMBL940939

COc1ccc(-n2cc[nH]c(=O)c2=O)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ GAA P10253 2/20 0.49
▸ THRB P10828 2/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP2C9 P11712 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ BRD9 Q9H8M2 2/20 0.41
▸ MCHR1 Q99705 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL13939849 0.87 GRIN2D (0.39) MAPTGAATHRBCYP1A2L3MBTL1
SCHEMBL941249 0.84 MCHR1 (0.55) MCHR1
SCHEMBL13939859 0.81 MCHR1 (0.58) MCHR1
SCHEMBL10654335 0.72 CYP2C9 (0.47) MAPTGAATHRBCYP1A2L3MBTL1
SCHEMBL9529067 0.71 CYP1A2 (0.60) MAPTGAATHRBCYP1A2L3MBTL1
SCHEMBL942297 0.71 RXFP1 (0.53) MAPTGAATHRBCYP1A2L3MBTL1
SCHEMBL19692092 0.70 SRC (0.43) MAPTGAATHRBCYP1A2L3MBTL1
SCHEMBL30716454 0.68 RXFP1 (0.50) MAPTGAATHRBCYP1A2L3MBTL1
SCHEMBL10430351 0.67 TUBB4A (0.51) MAPTGAATHRBCYP1A2L3MBTL1
SCHEMBL11356906 0.67 CYP2C9 (0.64) MAPTGAATHRBCYP1A2L3MBTL1

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 18 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-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-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-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-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
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
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 MAPT 2398/4885GAA 1730/4885THRB 80/4885
US-20110003759-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R MAPT 2461/4885GAA 829/4885THRB 81/4885
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R MAPT 2461/4885GAA 829/4885THRB 81/4885

“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.

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