SCHEMBL12050623

SCHEMBL12050623

Cc1cc(-c2nc3cc4c(cc3[nH]2)CC2(C4)C(=O)NC(=O)N2C)nn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 15/20 0.47
▸ CALCA P06881 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PTGER1 P34995 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL12990520 0.79 CALCA (0.47) CALCRLCALCAHIF1A
SCHEMBL12050633 0.78 CALCRL (0.50) CALCRLCALCA
SCHEMBL12050642 0.78 CALCRL (0.45) CALCRLCALCA
SCHEMBL12050639 0.75 CALCA (0.47) CALCRLCALCA
SCHEMBL12050635 0.74 KDM4E (0.51) CALCRLCALCA
SCHEMBL12050638 0.73 CALCA (0.47) CALCRLCALCA
SCHEMBL12050348 0.73 CALCRL (0.49) CALCRLCALCA
SCHEMBL12050415 0.72 CALCRL (0.61) CALCRLCALCA
SCHEMBL3097476 0.72 HIF1A (0.70) HIF1APTGER1PTGDR2
SCHEMBL12050622 0.72 CALCRL (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — 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-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 23/4885HIF1A 914/4885

“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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