SCHEMBL2893795

SCHEMBL2893795

NC1CN(C(=O)O)C(Cc2ccccc2)CNC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.42
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
CA4 P22748 10/20 0.41
CA9 Q16790 10/20 0.41
DPP4 P27487 2/20 0.38
MC4R P32245 2/20 0.38
MC3R P41968 2/20 0.38
MC1R Q01726 2/20 0.38
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL28474456 0.79 CMA1 (0.42) ABCB1CA1CA2CA4CA9
SCHEMBL29060292 0.76 CA1 (0.46) ABCB1CA1CA2CA4CA9
SCHEMBL590923 0.71 CA1 (0.62) CA1CA2CA4CA9DPP4
SCHEMBL28045116 0.71 CA1 (0.62) CA1CA2CA4CA9DPP4
SCHEMBL28567291 0.71 ABCB1 (0.48) ABCB1CA1CA2CA4CA9
SCHEMBL20575828 0.70 ABHD6 (0.52) ABCB1MC4RMC3RMC1R
SCHEMBL3576211 0.69 CA1 (0.54) CA1CA2CA4CA9DPP4
SCHEMBL2086686 0.69 CA1 (0.54) CA1CA2CA4CA9DPP4
SCHEMBL21010215 0.69 KDM4E (0.40) ABCB1MC4R
SCHEMBL28405413 0.69 ABCB1 (0.49) ABCB1CA1CA2CA4CA9

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
US-7745427-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-29 US disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 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-20080090806-A1 Cgrp Receptor Antagonists CCKBR, BDKRB1, BDKRB2 ABCB1 652/4885CA1 3498/4885CA2 1230/4885

“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.