SCHEMBL1006858

SCHEMBL1006858

Cn1c2c(c3ccc(Br)nc31)CCN(C(=O)O)CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.38
GRM5 P41594 1/20 0.37
BAZ2B Q9UIF8 2/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ENPP2 Q13822 3/20 0.32
MTHFD2 P13995 2/20 0.32
HDAC10 Q969S8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL9931576 0.91 MCHR1 (0.43) MCHR1BAZ2BMTHFD2HDAC10HDAC8
SCHEMBL989561 0.84 MCHR1 (0.38) MCHR1BAZ2BMTNR1AMTNR1BMTHFD2
SCHEMBL30339918 0.83 DDB1 (0.40) GRM5HDAC6
SCHEMBL1004761 0.83 DDB1 (0.40) GRM5HDAC6
SCHEMBL12127529 0.79 MTNR1A (0.43) MCHR1MTNR1AMTNR1B
SCHEMBL12127535 0.79 MTNR1A (0.40) MCHR1MTNR1AMTNR1B
SCHEMBL12927934 0.77 ALOX5 (0.43) MCHR1MTNR1AMTNR1B
SCHEMBL9930853 0.77 DDB1 (0.47) MCHR1BAZ2BHDAC10HDAC6
SCHEMBL16457333 0.77 GRM5 (0.35) MCHR1GRM5BAZ2B
SCHEMBL1004240 0.76 GRM5 (0.46) MCHR1GRM5BAZ2BHDAC10HDAC8

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 3 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
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

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 1/4885GRM5 245/4885BAZ2B 1341/4885

“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.