SCHEMBL13481979

SCHEMBL13481979

O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC2(CC1)CC(c1ccccc1)NC2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 1.00
▸ RAMP1 O60894 1/20 0.56
▸ CALCA P06881 1/20 0.56

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
SCHEMBL13481982 0.83 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL13481980 0.82 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL13481978 0.82 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL3188889 0.78 CALCRL (1.00) CALCRL
SCHEMBL13481981 0.78 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL3608876 0.78 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL3608883 0.78 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL19236114 0.78 CALCRL (0.81) CALCRLRAMP1CALCA
SCHEMBL2766016 0.77 CALCRL (0.74) CALCRLRAMP1CALCA
SCHEMBL4213464 0.76 CALCRL (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799672-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-02 — — EP disclosed
US-7659264-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-02-09 — — US disclosed
US-7659264-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-02-09 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — US disclosed
US-20080070899-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-03-20 — — 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-20080070899-A1 Cgrp Receptor Antagonists BDKRB1, CCKBR, CALCRL CALCRL 3/4885RAMP1 129/4885CALCA 19/4885

“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