SCHEMBL13481975

SCHEMBL13481975

O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=O)N1CCC2(CC1)C(=O)Nc1ncccc12

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.80
▸ RAMP1 O60894 3/20 0.57

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
SCHEMBL3608876 0.89 CALCRL (1.00) CALCRLRAMP1
SCHEMBL3608883 0.89 CALCRL (1.00) CALCRLRAMP1
SCHEMBL13481976 0.89 CALCRL (0.77) CALCRLRAMP1
SCHEMBL13481972 0.88 CALCRL (0.87) CALCRLRAMP1
SCHEMBL13481973 0.87 CALCRL (0.79) CALCRLRAMP1
SCHEMBL13481974 0.86 CALCRL (0.78) CALCRLRAMP1
SCHEMBL13481977 0.85 CALCRL (0.75) CALCRLRAMP1
SCHEMBL13481983 0.82 CALCRL (0.71) CALCRLRAMP1
SCHEMBL13290488 0.82 CALCRL (0.71) CALCRLRAMP1
SCHEMBL12219705 0.81 CALCRL (0.80) CALCRLRAMP1

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 129/4885

“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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