Telcagepant

Telcagepant

SCHEMBL3678043

O.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.[K]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CALCRL

The experimentally established mechanism targets of Telcagepant. 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 0.97
RAMP1 O60894 1/20 0.97
CALCA P06881 1/20 0.97

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
Telcagepant SCHEMBL3678268 0.99 CALCRL (0.99) CALCRLRAMP1CALCA
Telcagepant SCHEMBL3678042 0.99 CALCRL (0.97) CALCRLRAMP1CALCA
Telcagepant SCHEMBL13345769 0.99 CALCRL (1.00) CALCRLRAMP1CALCA
Telcagepant SCHEMBL3176473 0.99 CALCRL (1.00) CALCRLRAMP1CALCA
Telcagepant SCHEMBL1198535 0.99 CALCRL (1.00) CALCRLRAMP1CALCA
Telcagepant SCHEMBL32659727 0.99 CALCRL (1.00) CALCRLRAMP1CALCA
Telcagepant SCHEMBL13025488 0.99 CALCRL (1.00) CALCRLRAMP1CALCA
Telcagepant SCHEMBL29371277 0.99 CALCRL (1.00) CALCRLRAMP1CALCA
Telcagepant SCHEMBL3678266 0.98 CALCRL (0.99) CALCRLRAMP1CALCA
Telcagepant SCHEMBL3682410 0.95 CALCRL (0.92) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009967-A1 SOLID DOSAGE FORMULATIONS OF TELCAGEPANT POTASSIUM MERCK SHARP & DOHME CORP. 2010-01-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20100009967-A1 SOLID DOSAGE FORMULATIONS OF TELCAGEPANT POTASSIUM KCNN1, KCNN2, KCNN3 CALCRL 1126/4885RAMP1 2254/4885CALCA 2077/4885

“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.