SCHEMBL12050644

SCHEMBL12050644

CN1C(=O)NC(=O)C12Cc1cc3nc(CCc4cccc(C#N)c4)[nH]c3cc1C2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 17/20 0.49
▸ MAP2K2 P36507 1/20 0.46
▸ CALCA P06881 2/20 0.41
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL13009297 0.86 MAPT (0.54) CALCRLCALCALMNAMAPTHTT
SCHEMBL12050632 0.80 CALCRL (0.50) CALCRLMAP2K2CALCA
SCHEMBL12060842 0.79 CALCRL (0.55) CALCRLCALCA
SCHEMBL12061379 0.77 CALCRL (0.53) CALCRLCALCA
SCHEMBL12050171 0.77 CALCRL (0.53) CALCRLCALCA
SCHEMBL12990549 0.77 CALCA (0.46) CALCRLCALCA
SCHEMBL12050294 0.77 CALCRL (0.60) CALCRLCALCA
SCHEMBL12050163 0.74 CALCRL (0.54) CALCRLMAP2K2CALCA
SCHEMBL12050415 0.74 CALCRL (0.61) CALCRLCALCA
SCHEMBL12050619 0.74 CALCRL (0.54) 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 3/4885MAP2K2 4767/4885CALCA 23/4885

“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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