SCHEMBL13253208

SCHEMBL13253208

CC(C)(O)c1cnc2n1C[C@H](c1cccc(F)c1F)CCC2NC(=O)c1cc2c(cn1)CC1(C2)C(=O)Nc2ccccc21

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 20/20 0.83
▸ RAMP1 O60894 5/20 0.83

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
SCHEMBL13997598 0.91 CALCRL (1.00) CALCRLRAMP1
SCHEMBL4570723 0.91 CALCRL (1.00) CALCRLRAMP1
SCHEMBL14173372 0.82 CALCRL (0.84) CALCRLRAMP1
SCHEMBL14173354 0.77 CALCRL (0.76) CALCRLRAMP1
SCHEMBL2527814 0.76 CALCRL (0.59) CALCRLRAMP1
SCHEMBL14173355 0.74 CALCRL (0.70) CALCRLRAMP1
SCHEMBL12219713 0.74 CALCRL (0.86) CALCRLRAMP1
SCHEMBL12219333 0.73 CALCRL (0.56) CALCRLRAMP1
SCHEMBL14173359 0.72 CALCRL (0.75) CALCRLRAMP1
SCHEMBL12219794 0.72 CALCRL (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 — — US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 — — 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-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR CALCRL 6/4885RAMP1 38/4885

“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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