SCHEMBL105490

SCHEMBL105490

CC(=O)[C@H](N)Cc1cc(C)c2[nH]ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.40
CALCA P06881 14/20 0.39

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
SCHEMBL18814354 0.90 SLC7A5 (0.42) CALCRLCALCA
SCHEMBL22774420 0.90 SLC7A5 (0.42) CALCRLCALCA
SCHEMBL140133 0.90 SLC7A5 (0.42) CALCRLCALCA
Hydrochloric Acid SCHEMBL22773984 0.89 SLC7A5 (0.41) CALCRLCALCA
Hydrochloric Acid SCHEMBL22773983 0.89 SLC7A5 (0.41) CALCRLCALCA
Hydrochloric Acid SCHEMBL31180181 0.89 SLC7A5 (0.41) CALCRLCALCA
SCHEMBL4855681 0.87 CALCRL (0.42) CALCRLCALCA
SCHEMBL107000 0.87 CALCA (0.39) CALCRLCALCA
SCHEMBL22796447 0.87 CALCA (0.39) CALCRLCALCA
SCHEMBL3591408 0.87 CALCA (0.39) CALCRLCALCA

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-8481546-B2 CGRP receptor antagonist BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-09 US disclosed
US-20120059017-A1 CGRP Receptor Antagonist BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 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-20120059017-A1 CGRP Receptor Antagonist CALCRL, PTGIR, CALCR CALCRL 1/4885CALCA 7/4885

“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.