SCHEMBL14933346

SCHEMBL14933346

O=C(O)c1cnc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.61
RAMP1 O60894 8/20 0.55

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
SCHEMBL31084957 1.00 CALCRL (0.61) CALCRLRAMP1
SCHEMBL3694253 1.00 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29559656 1.00 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29518081 1.00 CALCRL (0.61) CALCRLRAMP1
SCHEMBL29997203 1.00 CALCRL (0.61) CALCRLRAMP1
Hydrochloric Acid SCHEMBL31126002 0.99 CALCRL (0.60) CALCRLRAMP1
Water SCHEMBL29518115 0.99 CALCRL (0.60) CALCRLRAMP1
SCHEMBL4567288 0.90 CALCRL (0.58) CALCRLRAMP1
SCHEMBL4571727 0.87 CALCRL (0.58) CALCRLRAMP1
SCHEMBL31126005 0.87 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737458-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme LLC (US) 2026-05-06 EP disclosed
EP-3983416-B1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-09-03 EP disclosed
US-12344621-B2 CGRP antagonist compounds NXERA PHARMA UK LIMITED (GB) 2025-07-01 US disclosed
EP-4357020-A2 ASYMMETRIC PHASE TRANSFER CATALYSIS Merck Sharp & Dohme LLC (US) 2024-04-24 EP disclosed
US-20220306651-A1 CGRP ANTAGONIST COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2022-09-29 US disclosed
EP-4019516-A1 ASYMMETRIC PHASE TRANSFER CATALYSIS Merck Sharp & Dohme Corp. (US) 2022-06-29 EP disclosed
EP-3680240-A1 ASYMMETRIC PHASE TRANSFER CATALYSIS MERCK SHARP & DOHME CORP. (US) 2020-07-15 EP disclosed
EP-2825536-B1 BIS-QUARTERNARY CINCHONA ALKALOID SALTS AS ASYMMETRIC PHASE TRANSFER CATALYSTS MERCK SHARP & DOHME (US) 2020-06-17 EP disclosed
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-12 US disclosed
US-10272077-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-04-30 US disclosed
US-9067941-B2 Fused heterocyclic azaindane carboxamide CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-06-30 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-20150031891-A1 BIS-QUARTERNARY CINCHONA ALKALOID SALTS AS ASYMMETRIC PHASE TRANSFER CATALYSTS MERCK SHARP & DOHME CORP. (US) 2015-01-29 US disclosed
EP-2825044-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-01-21 EP disclosed
WO-2013169574-A2 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed
US-20130267541-A1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-10-10 US disclosed
US-20130267541-A1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-10-10 US disclosed
WO-2013138418-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-09-19 WO disclosed
WO-2013066360-A1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-10 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 (8 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-20130267541-A1 FUSED HETEROCYCLIC AZAINDANE CARBOXAMIDE CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, CNR2 CALCRL 2/4885RAMP1 72/4885
US-20150031891-A1 BIS-QUARTERNARY CINCHONA ALKALOID SALTS AS ASYMMETRIC PHASE TRANSFER CATALYSTS COASY, BCHE, CLK4 CALCRL 4082/4885RAMP1 4436/4885
US-20220306651-A1 CGRP ANTAGONIST COMPOUNDS CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 67/4885
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS CALCRL, P2RX3, P2RY1 CALCRL 1/4885RAMP1 125/4885
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885
US-12344621-B2 CGRP antagonist compounds CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 63/4885
US-10272077-B2 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

“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.