SCHEMBL13929803

SCHEMBL13929803

CSCCN1C[C@H](c2cccc(F)c2F)CC[C@@H](NC(C)(C)C)C1=O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.53

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
SCHEMBL13929804 0.88 CALCRL (0.51) CALCRL
SCHEMBL13951756 0.87 CALCRL (0.53) CALCRL
SCHEMBL13929806 0.86 CALCRL (0.53) CALCRL
SCHEMBL2896670 0.85 CALCRL (0.60) CALCRL
SCHEMBL13929805 0.85 CALCRL (0.55) CALCRL
SCHEMBL1198467 0.83 CALCRL (0.49) CALCRL
SCHEMBL1196576 0.79 CALCRL (0.47) CALCRL
SCHEMBL14363438 0.76 CALCRL (0.57) CALCRL
SCHEMBL13951757 0.74 CALCRL (0.54) CALCRL
SCHEMBL13951567 0.74 CALCRL (0.51) CALCRL

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-7491713-B2 CGRP receptor antagonists MERCK + CO., INC. (US) 2009-02-17 — — US disclosed
US-20070287696-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-20070287696-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR CALCRL 4/4885

“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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