SCHEMBL9931576

SCHEMBL9931576

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.43
BAZ2B Q9UIF8 4/20 0.42
HDAC10 Q969S8 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC8 Q9BY41 2/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.36
HTR5A P47898 2/20 0.36
HDAC1 Q13547 1/20 0.36
MTHFD2 P13995 2/20 0.36
CFTR P13569 1/20 0.34
CYP2C9 P11712 1/20 0.33

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
SCHEMBL989561 0.93 MCHR1 (0.38) MCHR1BAZ2BHDAC10HDAC6HDAC8
SCHEMBL1006858 0.91 MCHR1 (0.38) MCHR1BAZ2BHDAC10HDAC6HDAC8
SCHEMBL9930853 0.83 DDB1 (0.47) MCHR1BAZ2BHDAC10HDAC6HDAC1
SCHEMBL16942538 0.81 HTR5A (0.48) MCHR1HDAC10HDAC6HDAC8HTR5A
SCHEMBL18381082 0.80 CYP1A2 (0.35) MCHR1BAZ2BHDAC10HDAC6HDAC8
SCHEMBL21588383 0.79 HDAC1 (0.36) MCHR1BAZ2BHDAC6HDAC1
SCHEMBL1004761 0.77 DDB1 (0.40) HDAC6HDAC1
SCHEMBL30339918 0.77 DDB1 (0.40) HDAC6HDAC1
SCHEMBL989533 0.77 DDB1 (0.42) MCHR1HDAC6HDAC1
SCHEMBL3477090 0.77 BAZ2B (0.53) MCHR1BAZ2BHDAC10HDAC6HDAC8

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-8993765-B2 Tetrahydro-azacarboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-31 US disclosed
WO-2012088124-A2 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-28 WO disclosed
US-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 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-20120157460-A1 TETRAHYDRO-AZACARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC5R MCHR1 1/4885BAZ2B 2409/4885HDAC10 692/4885

“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.