SCHEMBL1005049

SCHEMBL1005049

Cn1c2c(c3ccc(Br)cc31)CN(C(=O)O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.46
MCHR1 Q99705 8/20 0.42
HTR5A P47898 2/20 0.39
HDAC10 Q969S8 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC8 Q9BY41 2/20 0.38
EGLN1 Q9GZT9 1/20 0.37
HDAC1 Q13547 1/20 0.37
CNR1 P21554 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 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
SCHEMBL3477090 0.93 BAZ2B (0.53) BAZ2BMCHR1HTR5AHDAC10HDAC6
SCHEMBL1006124 0.90 BAZ2B (0.40) BAZ2BMCHR1HTR5AEGLN1
SCHEMBL3475264 0.85 BAZ2B (0.44) BAZ2BMCHR1HTR5AHDAC6EGLN1
SCHEMBL1007584 0.84 KRAS (0.46) BAZ2BMCHR1HDAC10HDAC6HDAC1
SCHEMBL1004240 0.84 GRM5 (0.46) BAZ2BMCHR1HTR5AHDAC10HDAC6
SCHEMBL1005802 0.79 HTR6 (0.46) BAZ2B
SCHEMBL989561 0.78 MCHR1 (0.38) BAZ2BMCHR1HTR5AHDAC10HDAC6
SCHEMBL12127719 0.78 HDAC6 (0.52) BAZ2BMCHR1HDAC10HDAC6HDAC8
SCHEMBL3476875 0.77 BAZ2B (0.50) BAZ2BHTR5AHDAC10HDAC6HDAC1
SCHEMBL9966179 0.77 ALOX5 (0.53) HTR5AKCNH2CYP1A2CYP2D6

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 5 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
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 BAZ2B 1341/4885MCHR1 1/4885HTR5A 8/4885

“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.