Rimegepant

Rimegepant

SCHEMBL1670839

NC1c2cccnc2C(OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CCC1c1cccc(F)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CALCRL

The experimentally established mechanism targets of Rimegepant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL known ✓ Q16602 20/20 1.00
ADRB2 P07550 1/20 1.00
CYP3A4 P08684 1/20 1.00
RAMP1 O60894 1/20 0.51
CALCA P06881 1/20 0.51

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
Rimegepant SCHEMBL24131009 1.00 CALCRL (1.00) CALCRLADRB2CYP3A4RAMP1CALCA
Rimegepant SCHEMBL1670580 1.00 CALCRL (1.00) CALCRLADRB2CYP3A4RAMP1CALCA
Rimegepant SCHEMBL29374210 1.00 CALCRL (1.00) CALCRLADRB2CYP3A4RAMP1CALCA
Rimegepant SCHEMBL2523699 1.00 CALCRL (1.00) CALCRLADRB2CYP3A4RAMP1CALCA
Rimegepant SCHEMBL29592766 1.00 CALCRL (1.00) CALCRLADRB2CYP3A4RAMP1CALCA
SCHEMBL30721761 0.97 CALCRL (0.94) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL30563158 0.97 CALCRL (0.94) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL29413909 0.96 CALCRL (0.93) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL30064030 0.96 CALCRL (0.93) CALCRLADRB2CYP3A4
SCHEMBL30721794 0.96 CALCRL (0.92) CALCRLADRB2CYP3A4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488512-B1 CGRP receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2013-11-27 EP claimed
US-8314117-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 US claimed
EP-2488512-A1 CGRP RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2012-08-22 EP claimed
WO-2011046997-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO claimed
US-20240366618-A1 CGRP Antagonists for Treating Trigeminal Neuralgia PFIZER IRELAND PHARMACEUTICALS (IE) 2024-11-07 US disclosed
US-20230321066-A1 PREVENTATIVE TREATMENT OF MIGRAINE BIOHAVEN PHARMACEUTICAL IRELAND DAC (US) 2023-10-12 US disclosed
US-20230321066-A1 PREVENTATIVE TREATMENT OF MIGRAINE BIOHAVEN PHARMACEUTICAL IRELAND DAC (US) 2023-10-12 US disclosed
WO-2023175632-A1 SOLID STATE FORMS OF (5S,6S,9R)-5-AMINO-6-(2,3DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]PYRIDIN-9-YL 4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)-1-PIPERIDINECARBOXYLATE HEMISULFATE AND PROCESSES FOR PREPARATION THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-09-21 WO disclosed
WO-2023175632-A1 SOLID STATE FORMS OF (5S,6S,9R)-5-AMINO-6-(2,3DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]PYRIDIN-9-YL 4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)-1-PIPERIDINECARBOXYLATE HEMISULFATE AND PROCESSES FOR PREPARATION THEREOF MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2023-09-21 WO disclosed
US-20230285380-A1 DUAL TREATMENT OF MIGRAINE PFIZER IRELAND PHARMACEUTICALS (IE) 2023-09-14 US disclosed
US-20230285380-A1 DUAL TREATMENT OF MIGRAINE PFIZER IRELAND PHARMACEUTICALS (IE) 2023-09-14 US disclosed
US-20220168295-A1 RIMEGEPANT FOR CGRP RELATED DISORDERS PFIZER IRELAND PHARMACEUTICALS (IE) 2022-06-02 US disclosed
EP-2815749-A1 Solid form of 4-amino-2-(2,6-dioxopiperidine-3-yl)isoindoline-1,3-dione having specified X-ray diffraction pattern IP Gesellschaft für Management mbH (DE) 2014-12-24 EP disclosed
US-8669368-B2 Process for the preparation of cycloheptapyridine CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-11 US disclosed
EP-2488512-B1 CGRP receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2013-11-27 EP disclosed
WO-2013130402-A1 N- (5S, 6S, 9R) - 5 -AMINO- 6 - (2, 3 - DIFLUOROPHENYL) -6, 7, 8, 9 - TETRAHYDRO - 5H - CYCLOHEPTA [B] PYRIDIN-9 -YL- 4 - (2 - OXO-2, 3 - DIHYDRO - 1H- IMIDAZO [4, 5 -B] PYRIDIN - 1 - YL) PIPERIDINE - 1 - CARBOXYLATE, HEMISULFATE SALT BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-06 WO disclosed
US-20130053570-A1 CGRP Receptor Antagonists BRISTOL MYERS SQUIBB CO (US) 2013-02-28 US disclosed
US-8314117-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 US disclosed
US-20120245356-A1 Process for the Preparation of Cycloheptapyridine CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
US-20110251223-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2011-10-13 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-20120245356-A1 Process for the Preparation of Cycloheptapyridine CGRP Receptor Antagonists CALCRL, OPRL1, CALCR CALCRL 1/4885ADRB2 140/4885CYP3A4 834/4885
US-20240366618-A1 CGRP Antagonists for Treating Trigeminal Neuralgia OPRL1, CALCRL, CALCR CALCRL 2/4885ADRB2 301/4885CYP3A4 4474/4885
US-20220168295-A1 RIMEGEPANT FOR CGRP RELATED DISORDERS CALCRL, CALCA, CALCB CALCRL 1/4885ADRB2 209/4885CYP3A4 3129/4885
US-20130053570-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR CALCRL 1/4885ADRB2 44/4885CYP3A4 2984/4885
US-20230285380-A1 DUAL TREATMENT OF MIGRAINE CALCB, PDE1A, PDE1B CALCRL 7/4885ADRB2 306/4885CYP3A4 3113/4885
US-20230321066-A1 PREVENTATIVE TREATMENT OF MIGRAINE PDE3A, CALCA, HTR5A CALCRL 18/4885ADRB2 620/4885CYP3A4 3725/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR CALCRL 1/4885ADRB2 44/4885CYP3A4 2984/4885

“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.