SCHEMBL7030758

SCHEMBL7030758

C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)c2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)N1CC(F)(F)F

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.85
▸ RAMP1 O60894 15/20 0.85

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
SCHEMBL15227820 0.93 CALCRL (0.74) CALCRLRAMP1
SCHEMBL15228057 0.93 CALCRL (0.74) CALCRLRAMP1
Ubrogepant SCHEMBL30596427 0.92 CALCRL (1.00) CALCRLRAMP1
Ubrogepant SCHEMBL29373722 0.92 CALCRL (1.00) CALCRLRAMP1
Ubrogepant SCHEMBL20784253 0.92 CALCRL (1.00) CALCRLRAMP1
Ubrogepant SCHEMBL31610892 0.92 CALCRL (1.00) CALCRLRAMP1
Ubrogepant SCHEMBL3698428 0.92 CALCRL (1.00) CALCRLRAMP1
Ubrogepant SCHEMBL22259356 0.92 CALCRL (1.00) CALCRLRAMP1
Ubrogepant SCHEMBL30416212 0.91 CALCRL (0.99) CALCRLRAMP1
Ubrogepant SCHEMBL16653012 0.91 CALCRL (0.99) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637656-B1 N-Piperidinone-indane carboxamides as CGRP receptor antagonists MERCK SHARP & DOHME (US) 2016-12-14 — — EP disclosed
US-9499541-B2 Piperidinone carboxamide indane 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
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-01-29 — — US disclosed
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-01-29 — — US disclosed
US-8883807-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-8883807-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-11-11 — — US disclosed
US-20130231358-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-09-05 — — US disclosed
US-20130231358-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-09-05 — — US disclosed
WO-2012064911-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 — — WO 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 (2 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 29/4885
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 24/4885

“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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