SCHEMBL3701559

SCHEMBL3701559

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.61
▸ RAMP1 O60894 1/20 0.49
▸ CALCA P06881 1/20 0.49

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
SCHEMBL3702942 1.00 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL16086952 1.00 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL15401584 0.91 CALCRL (0.51) CALCRLRAMP1CALCA
SCHEMBL2766016 0.90 CALCRL (0.74) CALCRLRAMP1CALCA
SCHEMBL3708583 0.85 CALCRL (0.47) CALCRLRAMP1CALCA
SCHEMBL13051210 0.81 CALCRL (0.73) CALCRLRAMP1CALCA
SCHEMBL13050743 0.81 CALCRL (0.73) CALCRLRAMP1CALCA
SCHEMBL5319544 0.81 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL13050740 0.81 CALCRL (0.73) CALCRLRAMP1CALCA
SCHEMBL1825310 0.81 CALCRL (0.59) CALCRLRAMP1CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2021-01-14 — — US disclosed
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-12 — — US disclosed
US-10272077-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-04-30 — — US disclosed
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 — — US disclosed
US-9833448-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-05 — — US disclosed
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-02 — — US disclosed
EP-2637656-B1 N-Piperidinone-indane carboxamides as CGRP receptor antagonists MERCK SHARP & DOHME (US) 2016-12-14 — — EP disclosed
US-9499545-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-22 — — US disclosed
US-9499541-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-22 — — US disclosed
EP-2821407-B1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-09-21 — — EP disclosed
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
EP-2686324-B1 PIPERIDINE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-01-06 — — EP disclosed
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-01-29 — — US disclosed
EP-2821407-A1 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck Sharp & Dohme Corp. (US) 2015-01-07 — — EP disclosed
EP-2638042-B1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-09-24 — — EP disclosed
US-8754096-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-06-17 — — US disclosed
US-20140005214-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-01-02 — — US disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 — — US disclosed
US-20120122899-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 (9 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-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885CALCA 5/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885CALCA 5/4885
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885CALCA 5/4885
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GPR65 CALCRL 1/4885RAMP1 26/4885CALCA 14/4885
US-20140005214-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 27/4885CALCA 4/4885
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 24/4885CALCA 5/4885
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885CALCA 5/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885CALCA 5/4885
US-10272077-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885CALCA 5/4885

“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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