SCHEMBL7031017

SCHEMBL7031017

COC(=O)c1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncncc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 5/20 0.43
RAMP1 O60894 2/20 0.43
IP6K1 Q92551 1/20 0.40
CSNK2A1 P68400 2/20 0.39
CRBN Q96SW2 3/20 0.38
ROCK2 O75116 1/20 0.36
DDB1 Q16531 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
PARP1 P09874 1/20 0.36
ADM2 Q7Z4H4 3/20 0.36
CALCB P10092 2/20 0.35
MAPK1 P28482 1/20 0.35
NEK1 Q96PY6 1/20 0.35

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
SCHEMBL18307248 0.90 CALCRL (0.39) CALCRLRAMP1IP6K1ADM2CALCB
SCHEMBL10119963 0.87 CALCRL (0.44) CALCRLRAMP1IP6K1ALDH1A1ADM2
SCHEMBL31084963 0.84 IP6K1 (0.39) CALCRLRAMP1IP6K1CRBNDDB1
SCHEMBL22796621 0.84 IP6K1 (0.39) CALCRLRAMP1IP6K1CRBNDDB1
SCHEMBL22796544 0.84 IP6K1 (0.39) CALCRLRAMP1IP6K1CRBNDDB1
SCHEMBL29517785 0.84 IP6K1 (0.39) CALCRLRAMP1IP6K1CRBNDDB1
SCHEMBL29996255 0.84 IP6K1 (0.39) CALCRLRAMP1IP6K1CRBNDDB1
SCHEMBL29733100 0.84 IP6K1 (0.39) CALCRLRAMP1IP6K1CRBNDDB1
SCHEMBL15236128 0.84 CALCRL (0.51) CALCRLRAMP1ADM2CALCB
SCHEMBL22796626 0.84 CALCRL (0.51) CALCRLRAMP1ADM2CALCB

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 35 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-8895572-B2 Fused heterocyclic indane carboxamide CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-11-25 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
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 CALCRL 1/4885RAMP1 29/4885IP6K1 892/4885
US-20130261138-A1 FUSED HETEROCYCLIC INDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, CNR2 CALCRL 2/4885RAMP1 63/4885IP6K1 1507/4885
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 CALCRL 2/4885RAMP1 11/4885IP6K1 733/4885

“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.