SCHEMBL15280637

SCHEMBL15280637

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 6/20 0.50
▸ RAMP1 O60894 5/20 0.50
▸ SCN9A Q15858 5/20 0.40
▸ CCKBR P32239 5/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ MAOB P27338 1/20 0.36

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
SCHEMBL35210147 1.00 CALCRL (0.50) CALCRLRAMP1SCN9ACCKBRKMT2A
SCHEMBL20664220 1.00 CALCRL (0.50) CALCRLRAMP1SCN9ACCKBRKMT2A
SCHEMBL16658956 0.89 RAMP1 (0.40) CALCRLRAMP1CCKBRKMT2AL3MBTL1
SCHEMBL3699627 0.89 CALCRL (0.53) CALCRLRAMP1CCKBR
SCHEMBL16653123 0.89 CALCRL (0.53) CALCRLRAMP1CCKBR
SCHEMBL20664219 0.88 RAMP1 (0.48) CALCRLRAMP1SCN9AKMT2AL3MBTL1
SCHEMBL30683667 0.88 RAMP1 (0.48) CALCRLRAMP1SCN9AKMT2AL3MBTL1
SCHEMBL20664272 0.88 RAMP1 (0.48) CALCRLRAMP1SCN9AKMT2AL3MBTL1
SCHEMBL15280640 0.88 RAMP1 (0.48) CALCRLRAMP1SCN9AKMT2AL3MBTL1
SCHEMBL20664225 0.82 CALCRL (0.50) CALCRLRAMP1SCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850246-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-26 — — US disclosed
US-9487523-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 — — US disclosed
US-20160130273-A1 Process for Making CGRP Receptor Antagonists MERCK SHARP & DOHME CORP. (US) 2016-05-12 — — 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
WO-2013138418-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-09-19 — — WO 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 (2 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-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR CALCRL 7/4885RAMP1 19/4885SCN9A 174/4885
US-20160130273-A1 Process for Making CGRP Receptor Antagonists CALCR, CALCRL, VIPR1 CALCRL 2/4885RAMP1 6/4885SCN9A 566/4885

“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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