SCHEMBL7033503

SCHEMBL7033503

COC(=O)c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncnc(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 2/20 0.40
CSNK2A1 P68400 1/20 0.35
CALCRL Q16602 2/20 0.35
RAMP1 O60894 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CREBBP Q92793 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CRBN Q96SW2 3/20 0.34
DDB1 Q16531 1/20 0.33
TRPA1 O75762 3/20 0.33
ALOX5 P09917 1/20 0.33
NPY5R Q15761 1/20 0.33

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
SCHEMBL15227998 0.87 IP6K1 (0.36) IP6K1CALCRLRAMP1ALDH1A1L3MBTL1
SCHEMBL7031017 0.81 CALCRL (0.43) IP6K1CSNK2A1CALCRLRAMP1ALDH1A1
SCHEMBL261335 0.78 CA9 (0.32) CALCRL
SCHEMBL29416274 0.77 CALCRL (0.51) CALCRLRAMP1
SCHEMBL22796626 0.77 CALCRL (0.51) CALCRLRAMP1
SCHEMBL15236128 0.77 CALCRL (0.51) CALCRLRAMP1
SCHEMBL1814470 0.77 CALCRL (0.51) CALCRLRAMP1
SCHEMBL29517886 0.77 CALCRL (0.51) CALCRLRAMP1
SCHEMBL31084970 0.77 CALCRL (0.51) CALCRLRAMP1
SCHEMBL29517961 0.77 CALCRL (0.51) 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2849568-B1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2020-04-15 EP disclosed
EP-3430906-A1 CRYSTALLINE FORMS OF CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2019-01-23 EP disclosed
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-05-10 US disclosed
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-9850246-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2637656-B1 N-Piperidinone-indane carboxamides as CGRP receptor antagonists MERCK SHARP & DOHME (US) 2016-12-14 EP disclosed
US-9499541-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-22 US disclosed
US-9499541-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-22 US disclosed
US-8883807-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-8883807-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-11-11 US disclosed
US-20130261138-A1 FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
US-20130261138-A1 FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
WO-2013138418-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-09-19 WO disclosed
US-20130231358-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-09-05 US disclosed
US-20130231358-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-09-05 US disclosed
US-20130231358-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-09-05 US disclosed
WO-2012087777-A1 FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-06-28 WO disclosed
WO-2012064911-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-18 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 (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-20130231358-A1 PIPERIDINONE CARBOXAMIDE INDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 IP6K1 892/4885CSNK2A1 1759/4885CALCRL 1/4885
US-20130261138-A1 FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, CNR2 IP6K1 1507/4885CSNK2A1 2034/4885CALCRL 2/4885
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 IP6K1 733/4885CSNK2A1 2313/4885CALCRL 2/4885

“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.