SCHEMBL12628016

SCHEMBL12628016

CCc1nc2cc3c(cc2[nH]1)CC1(C3)C(=O)Nc2ncccc21

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 6/20 0.52
▸ CALCRL Q16602 14/20 0.48

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
SCHEMBL12048962 0.89 CALCRL (0.50) CALCACALCRL
SCHEMBL12990698 0.87 CALCRL (0.52) CALCACALCRL
SCHEMBL12049320 0.86 CALCA (0.52) CALCACALCRL
SCHEMBL12049385 0.84 CALCA (0.55) CALCACALCRL
SCHEMBL12990708 0.83 CALCA (0.47) CALCACALCRL
SCHEMBL12990699 0.83 CALCA (0.49) CALCACALCRL
SCHEMBL13083797 0.82 MAPT (0.51) CALCACALCRL
SCHEMBL12049395 0.82 CALCRL (0.48) CALCACALCRL
SCHEMBL12990254 0.81 CALCA (0.45) CALCACALCRL
SCHEMBL12049399 0.81 CALCA (0.49) CALCACALCRL

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
EP-1954268-B1 SPIROLACTAM BICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-09-26 — — EP disclosed
US-7947677-B2 Spirolactam tricyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-05-24 — — US disclosed
US-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-04-23 — — 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-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCA 5/4885CALCRL 2/4885

“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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