SCHEMBL13345743

SCHEMBL13345743

C[C@H]1CC[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 0.48
▸ CALCA P06881 1/20 0.48

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
SCHEMBL13025486 1.00 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL13025489 1.00 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL13025498 1.00 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL1198319 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL3066255 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL4559699 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL13036911 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
SCHEMBL13050655 0.87 CALCRL (0.60) CALCRLRAMP1CALCA
Hydrochloric Acid SCHEMBL4663029 0.86 CALCRL (0.59) CALCRLRAMP1CALCA
Hydrochloric Acid SCHEMBL3058435 0.86 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718796-B2 Process for the preparation of caprolactam CGRP antagonist MERCK SHARP & DOHME CORP. (US) 2010-05-18 — — US disclosed
US-20090124799-A1 Process for the preparation of Caprolactam Cgrp Antagonist MERCK SHARP & DOHME CORP. 2009-05-14 — — 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 (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-20090124799-A1 Process for the preparation of Caprolactam Cgrp Antagonist CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 14/4885CALCA 3/4885

“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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