SCHEMBL4567288

SCHEMBL4567288

CC(=O)c1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.58
RAMP1 O60894 8/20 0.52

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
SCHEMBL29518081 0.90 CALCRL (0.61) CALCRLRAMP1
SCHEMBL14933346 0.90 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29997203 0.90 CALCRL (0.61) CALCRLRAMP1
SCHEMBL31084957 0.90 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29559656 0.90 CALCRL (0.61) CALCRLRAMP1
SCHEMBL3694253 0.90 CALCRL (0.61) CALCRLRAMP1
Hydrochloric Acid SCHEMBL31126002 0.89 CALCRL (0.60) CALCRLRAMP1
Water SCHEMBL29518115 0.89 CALCRL (0.60) CALCRLRAMP1
SCHEMBL31084968 0.88 CALCRL (0.58) CALCRLRAMP1
SCHEMBL4571727 0.88 CALCRL (0.58) 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 21 patents — showing the first 20. 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-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 US disclosed
US-9850246-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9833448-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
US-9499545-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-22 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-9227972-B2 Aliphatic spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-9227973-B2 Pyridine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-07-23 US disclosed
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 US disclosed
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 US disclosed
US-20150005330-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-01-01 US disclosed
US-8912210-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-12-16 US disclosed
US-8754096-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-8481556-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck, Sharp & Dohms, Corp. (US) 2013-07-09 US disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 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 (11 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-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885
US-20150005330-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GPR65 CALCRL 1/4885RAMP1 26/4885
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, OPRL1 CALCRL 1/4885RAMP1 25/4885
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS CALCRL, P2RX3, P2RY1 CALCRL 1/4885RAMP1 125/4885
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 CALCRL 2/4885RAMP1 11/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR CALCRL 7/4885RAMP1 19/4885
US-20160130273-A1 Process for Making CGRP Receptor Antagonists CALCR, CALCRL, VIPR1 CALCRL 2/4885RAMP1 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.