SCHEMBL989607

SCHEMBL989607

O=c1cc(OCc2ccc(C(F)(F)F)nc2)cnn1C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.46
CYP4F2 P78329 4/20 0.42
CYP4A11 Q02928 4/20 0.42
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
GRM2 Q14416 1/20 0.36

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
SCHEMBL155870 0.85 CYP4F2 (0.44) MCHR1CYP4F2CYP4A11RXRARXRB
SCHEMBL1366940 0.85 CYP4F2 (0.46) MCHR1CYP4F2CYP4A11RXRARXRB
SCHEMBL15111078 0.83 MCHR1 (0.45) MCHR1CYP4F2CYP4A11RXRARXRB
SCHEMBL1366880 0.82 CYP4F2 (0.51) MCHR1CYP4F2CYP4A11RXRARXRB
SCHEMBL4046867 0.78 CYP4F2 (0.45) MCHR1CYP4F2CYP4A11
SCHEMBL158142 0.78 CYP4F2 (0.45) MCHR1CYP4F2CYP4A11
SCHEMBL1366609 0.76 CYP4F2 (0.46) MCHR1CYP4F2CYP4A11RXRARXRB
SCHEMBL1364562 0.76 MCHR1 (0.44) MCHR1CYP4F2CYP4A11
SCHEMBL1365511 0.76 MCHR1 (0.44) MCHR1CYP4F2CYP4A11
SCHEMBL15238669 0.75 MCHR1 (0.45) MCHR1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
EP-2448585-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF Albany Molecular Research, Inc. (US) 2012-05-09 EP disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 US disclosed
WO-2011003005-A1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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 (1 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-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E MCHR1 1/4885CYP4F2 1215/4885CYP4A11 840/4885

“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.