SCHEMBL16459917

SCHEMBL16459917

C[C@@H]1[C@H](c2c(F)ccc(F)c2F)C[C@H](NC(=O)c2cnc3c(c2)C[C@]2(C3)C(=O)NC(=O)N2C)C(=O)N1CC(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.71
▸ RAMP1 O60894 13/20 0.71

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
SCHEMBL16457904 1.00 CALCRL (0.71) CALCRLRAMP1
SCHEMBL16459119 0.94 CALCRL (0.63) CALCRLRAMP1
SCHEMBL5020159 0.84 CALCRL (0.74) CALCRLRAMP1
SCHEMBL6377695 0.83 CALCRL (0.99) CALCRLRAMP1
Atogepant SCHEMBL4570348 0.83 CALCRL (1.00) CALCRLRAMP1
Atogepant SCHEMBL19750880 0.83 CALCRL (1.00) CALCRLRAMP1
Atogepant SCHEMBL29371653 0.83 CALCRL (1.00) CALCRLRAMP1
Atogepant SCHEMBL31611055 0.83 CALCRL (1.00) CALCRLRAMP1
Atogepant SCHEMBL22259545 0.83 CALCRL (1.00) CALCRLRAMP1
Hydrochloric Acid SCHEMBL3710375 0.83 CALCRL (1.00) CALCRLRAMP1

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
US-9409916-B2 Piperidinone carboxamide spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-08-09 — — US disclosed
EP-2685826-B1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-02-03 — — EP disclosed
US-20140011827-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2014-01-09 — — 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-20140011827-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 27/4885

“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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