SCHEMBL1005955

SCHEMBL1005955

Cn1c2c(c3ccc(-n4ccc(CCc5ccccc5)nc4=O)cc31)CCN(C(=O)O)CC2

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.73
CYP3A4 P08684 3/20 0.47

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
SCHEMBL12927967 0.89 MCHR1 (0.66) MCHR1CYP3A4
SCHEMBL12927583 0.86 MCHR1 (0.80) MCHR1CYP3A4
SCHEMBL12927968 0.85 MCHR1 (1.00) MCHR1CYP3A4
Hydrochloric Acid SCHEMBL1005575 0.84 MCHR1 (0.98) MCHR1CYP3A4
SCHEMBL1004993 0.81 MCHR1 (0.63) MCHR1CYP3A4
SCHEMBL12949604 0.81 MCHR1 (1.00) MCHR1
SCHEMBL3477213 0.80 MCHR1 (0.66) MCHR1CYP3A4
SCHEMBL3476073 0.80 MCHR1 (0.58) MCHR1CYP3A4
Hydrochloric Acid SCHEMBL1042373 0.80 MCHR1 (0.98) MCHR1
SCHEMBL1004405 0.74 MCHR1 (0.74) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885CYP3A4 1046/4885

“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.