SCHEMBL3703415

SCHEMBL3703415

C[C@@H]1[C@H](c2cccc(Cl)c2)C[C@H](N(C(=O)O)C(C)(C)C)C(=O)N1CC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 20/20 0.39
▸ TP53 P04637 16/20 0.39

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
SCHEMBL17728827 0.89 SIGMAR1 (0.40) —
SCHEMBL17728829 0.80 RAMP1 (0.41) —
SCHEMBL3698148 0.80 RAMP1 (0.45) MDM2TP53
SCHEMBL15227809 0.80 RAMP1 (0.45) MDM2TP53
SCHEMBL3699201 0.80 RAMP1 (0.40) —
SCHEMBL3700283 0.80 RAMP1 (0.41) —
SCHEMBL17728821 0.80 RAMP1 (0.40) —
SCHEMBL3698338 0.80 RAMP1 (0.40) —
SCHEMBL26619367 0.80 RAMP1 (0.45) MDM2TP53
SCHEMBL3694085 0.79 SIGMAR1 (0.38) —

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846799-B1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-11-15 — — EP disclosed
US-9409916-B2 Piperidinone carboxamide spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-08-09 — — US disclosed
US-9296750-B2 Spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-03-29 — — US disclosed
US-9227972-B2 Aliphatic spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-07-23 — — US disclosed
US-20150111914-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 — — US disclosed
US-20150087641-A1 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2015-03-26 — — US disclosed
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 (7 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 MDM2 4811/4885TP53 4872/4885
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 MDM2 4841/4885TP53 4875/4885
US-20150005330-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 MDM2 4841/4885TP53 4875/4885
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, OPRL1 MDM2 4447/4885TP53 4783/4885
US-20150111914-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, TACR1 MDM2 4727/4885TP53 4756/4885
US-20150087641-A1 HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS CCKBR, CALCRL, BDKRB2 MDM2 4780/4885TP53 4847/4885
US-20140011827-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 MDM2 4821/4885TP53 4874/4885

“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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