SCHEMBL2097358

SCHEMBL2097358

NC1=CC2=C(CN1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 4/20 0.39
▸ CALCRL Q16602 11/20 0.36
▸ ADM2 Q7Z4H4 5/20 0.36
▸ CALCB P10092 4/20 0.36
▸ RAMP1 O60894 2/20 0.34

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
SCHEMBL15387275 0.83 CALCA (0.37) CALCACALCRLADM2CALCBRAMP1
SCHEMBL2774653 0.81 ADM2 (0.40) CALCRLADM2CALCBRAMP1
SCHEMBL2895570 0.79 CALCA (0.38) CALCACALCRLADM2CALCBRAMP1
SCHEMBL1819423 0.75 CALCA (0.52) CALCACALCRLADM2CALCBRAMP1
SCHEMBL10246001 0.74 CALCRL (0.51) CALCACALCRLADM2CALCBRAMP1
SCHEMBL16235885 0.73 CALCA (0.46) CALCACALCRLADM2CALCB
SCHEMBL260524 0.73 CALCA (0.50) CALCACALCRLADM2CALCBRAMP1
SCHEMBL550614 0.73 CALCA (0.50) CALCACALCRLADM2CALCBRAMP1
SCHEMBL549390 0.73 CALCA (0.50) CALCACALCRLADM2CALCBRAMP1
SCHEMBL29368505 0.73 CALCA (0.50) CALCACALCRLADM2CALCBRAMP1

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-8163752-B2 Tricyclic anilide heterocyclic CGRP receptor antagonists Merck, Sharp & Dohme Corp. (US) 2012-04-24 — — US disclosed
US-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-03 — — 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-20100137328-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, CCKBR, BDKRB2 CALCA 9/4885CALCRL 4/4885ADM2 43/4885

“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.

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