SCHEMBL16653123

SCHEMBL16653123

Cc1ccccc1[C@@H]1CC(NC(=O)O)C(=O)N(CC(F)(F)F)[C@@H]1C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 9/20 0.53
▸ RAMP1 O60894 8/20 0.53
▸ CCKBR P32239 11/20 0.40

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
SCHEMBL3699627 1.00 CALCRL (0.53) CALCRLRAMP1CCKBR
SCHEMBL35210147 0.89 CALCRL (0.50) CALCRLRAMP1CCKBR
SCHEMBL20664220 0.89 CALCRL (0.50) CALCRLRAMP1CCKBR
SCHEMBL15280637 0.89 CALCRL (0.50) CALCRLRAMP1CCKBR
SCHEMBL30683670 0.88 CALCRL (0.51) CALCRLRAMP1CCKBR
SCHEMBL16653184 0.88 CALCRL (0.51) CALCRLRAMP1CCKBR
SCHEMBL16661435 0.83 CALCRL (0.44) CALCRLRAMP1
SCHEMBL21919542 0.81 RAMP1 (0.42) CALCRLRAMP1
SCHEMBL16661421 0.81 RAMP1 (0.42) CALCRLRAMP1
SCHEMBL3694821 0.81 RAMP1 (0.42) 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
US-10106541-B2 Intermediates for preparing CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 — — US disclosed
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-05-10 — — US disclosed
US-9487523-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 — — US disclosed
US-9174989-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-11-03 — — US disclosed
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 — — 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 (3 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-10106541-B2 Intermediates for preparing CGRP receptor antagonists CALCR, CALCRL, VIPR1 CALCRL 2/4885RAMP1 11/4885CCKBR 15/4885
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 CALCRL 2/4885RAMP1 11/4885CCKBR 15/4885
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR CALCRL 7/4885RAMP1 19/4885CCKBR 1/4885

“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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