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Rimegepant

Rimegepant

SCHEMBL30563158

N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.O=S(=O)(O)O

nearest known ligand 0.94

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 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL known ✓ Q16602 20/20 0.94
▸ ADRB2 P07550 1/20 0.94
▸ CYP3A4 P08684 1/20 0.94

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 SCHEMBL30064030 0.99 CALCRL (0.93) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL29413909 0.99 CALCRL (0.93) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL29592766 0.97 CALCRL (1.00) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL29374210 0.97 CALCRL (1.00) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL1670839 0.97 CALCRL (1.00) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL24131009 0.97 CALCRL (1.00) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL2523699 0.97 CALCRL (1.00) CALCRLADRB2CYP3A4
Rimegepant SCHEMBL1670580 0.97 CALCRL (1.00) CALCRLADRB2CYP3A4
SCHEMBL30721761 0.94 CALCRL (0.94) CALCRLADRB2CYP3A4
SCHEMBL30721794 0.93 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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