SCHEMBL1004240

SCHEMBL1004240

Cn1c2c(c3ccc(Br)cc31)CCN(C(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
BAZ2B Q9UIF8 4/20 0.45
MCHR1 Q99705 6/20 0.40
EGLN1 Q9GZT9 2/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
MCL1 Q07820 1/20 0.37
HTR5A P47898 1/20 0.37
HDAC1 Q13547 2/20 0.36
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 0.91 BAZ2B (0.53) GRM5BAZ2BMCHR1EGLN1HDAC6
SCHEMBL3475264 0.91 BAZ2B (0.44) GRM5BAZ2BMCHR1EGLN1HDAC6
SCHEMBL1006124 0.84 BAZ2B (0.40) GRM5BAZ2BMCHR1EGLN1MCL1
SCHEMBL1005049 0.84 BAZ2B (0.46) BAZ2BMCHR1EGLN1HDAC6HDAC10
SCHEMBL1003831 0.83 USP30 (0.46) GRM5BAZ2BMCHR1HDAC6HDAC1
SCHEMBL3476808 0.81 BAZ2B (0.53) GRM5BAZ2BHDAC6MCL1HTR5A
SCHEMBL12127719 0.78 HDAC6 (0.52) BAZ2BMCHR1HDAC6HDAC10HDAC8
SCHEMBL3476322 0.77 KRAS (0.51) GRM5BAZ2BMCHR1HDAC6HDAC10
SCHEMBL29983586 0.77 KRAS (0.51) GRM5BAZ2BMCHR1HDAC6HDAC10
SCHEMBL3475373 0.77 KRAS (0.51) GRM5BAZ2BHDAC6HDAC1

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 GRM5 245/4885BAZ2B 1341/4885MCHR1 1/4885

“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.