SCHEMBL16658950

SCHEMBL16658950

O=C1Nc2ncccc2[C@@]12Cc1cccnc1C2

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.48
CALCA P06881 3/20 0.47
RAMP1 O60894 11/20 0.45

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
SCHEMBL29549672 1.00 CALCRL (0.48) CALCRLCALCARAMP1
SCHEMBL10246001 0.89 CALCRL (0.51) CALCRLCALCARAMP1
SCHEMBL10207148 0.85 CALCA (0.46) CALCRLCALCARAMP1
SCHEMBL837966 0.85 CALCA (0.46) CALCRLCALCARAMP1
SCHEMBL31126001 0.83 CALCRL (0.50) CALCRLCALCARAMP1
SCHEMBL838209 0.83 CALCRL (0.50) CALCRLRAMP1
SCHEMBL977185 0.83 CALCRL (0.50) CALCRLRAMP1
SCHEMBL22110811 0.83 CALCRL (0.51) CALCRLRAMP1
SCHEMBL31039442 0.83 CALCRL (0.50) CALCRLRAMP1
SCHEMBL976476 0.83 CALCRL (0.50) CALCRLCALCARAMP1

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-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-05-10 US disclosed
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

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-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 CALCRL 2/4885CALCA 5/4885RAMP1 11/4885
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR CALCRL 7/4885CALCA 24/4885RAMP1 19/4885
US-20160130273-A1 Process for Making CGRP Receptor Antagonists CALCR, CALCRL, VIPR1 CALCRL 2/4885CALCA 5/4885RAMP1 6/4885

“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.