SCHEMBL3705520

SCHEMBL3705520

CC(C)(C)N(C(=O)O)[C@@H]1C[C@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.52
▸ RAMP1 O60894 1/20 0.42
▸ CALCA P06881 1/20 0.42

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
SCHEMBL3697359 1.00 CALCRL (0.52) CALCRLRAMP1CALCA
SCHEMBL1197770 0.93 CALCRL (0.56) CALCRLRAMP1CALCA
SCHEMBL15227525 0.92 CALCRL (0.42) CALCRLRAMP1CALCA
SCHEMBL1821624 0.84 CALCRL (0.49) CALCRLRAMP1CALCA
SCHEMBL15228003 0.81 CALCRL (0.35) CALCRL
SCHEMBL3701559 0.80 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL3702942 0.80 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL16086952 0.80 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL1196576 0.79 CALCRL (0.47) CALCRL
SCHEMBL1197428 0.79 CALCRL (0.47) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005330-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-01-01 — — US disclosed
US-8912210-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-12-16 — — US disclosed
US-8883807-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-20140011827-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2014-01-09 — — US disclosed
US-20130231358-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-09-05 — — US disclosed
US-8481556-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck, Sharp & Dohms, Corp. (US) 2013-07-09 — — US disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — 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 (4 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-20130231358-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 29/4885CALCA 5/4885
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885CALCA 5/4885
US-20150005330-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885CALCA 5/4885
US-20140011827-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 27/4885CALCA 4/4885

“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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