SCHEMBL4309332

SCHEMBL4309332

CN1C(=O)NC(=O)[C@]12Cc1ccc(N)c(Br)c1C2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 19/20 0.36
▸ CALCA P06881 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33

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
SCHEMBL12062467 0.84 CALCRL (0.37) CALCRLCALCAMAP2K2
SCHEMBL2023391 0.83 CALCRL (0.37) CALCRLMAP2K2
SCHEMBL2309391 0.83 CALCRL (0.37) CALCRLMAP2K2
SCHEMBL14543388 0.80 CALCRL (0.37) CALCRLCALCAMAP2K2
SCHEMBL2023012 0.76 CALCRL (0.41) CALCRLCALCAMAP2K2
SCHEMBL4307092 0.75 CALCRL (0.38) CALCRLCALCAMAP2K2
SCHEMBL12921079 0.75 BRD4 (0.46) CALCRLMAP2K2
SCHEMBL1921018 0.75 BRD4 (0.46) CALCRLMAP2K2
SCHEMBL1274913 0.74 CALCRL (0.46) CALCRLMAP2K2
SCHEMBL378986 0.74 CALCRL (0.46) CALCRLMAP2K2

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-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 — — EP disclosed
US-8071771-B2 Bicyclic spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-07-09 — — 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-20090176757-A1 Bicyclic Spirohydantoin CGRP Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 6/4885MAP2K2 4726/4885

“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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