SCHEMBL1825310

SCHEMBL1825310

O=C(O)N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=S

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.59
▸ RAMP1 O60894 1/20 0.47
▸ CALCA P06881 1/20 0.47

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
SCHEMBL5319544 1.00 CALCRL (0.59) CALCRLRAMP1CALCA
SCHEMBL2766016 0.88 CALCRL (0.74) CALCRLRAMP1CALCA
SCHEMBL3701559 0.81 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL16086952 0.81 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL3702942 0.81 CALCRL (0.61) CALCRLRAMP1CALCA
SCHEMBL1824892 0.80 CALCRL (0.50) CALCRLRAMP1CALCA
SCHEMBL5317834 0.80 CALCRL (0.50) CALCRLRAMP1CALCA
SCHEMBL1821624 0.79 CALCRL (0.49) CALCRLRAMP1CALCA
SCHEMBL13050743 0.79 CALCRL (0.73) CALCRLRAMP1CALCA
SCHEMBL13050740 0.79 CALCRL (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802372-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2011-05-04 — — EP disclosed
US-7732438-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-06-08 — — US disclosed
US-20070287697-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-13 — — 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 (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-20070287697-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR CALCRL 4/4885RAMP1 70/4885CALCA 18/4885

“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.

Send feedback