SCHEMBL1815456

SCHEMBL1815456

O=C(O)c1ccc2c(c1)CC1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 16/20 0.51
RAMP1 O60894 7/20 0.51
ADM2 Q7Z4H4 3/20 0.50
CALCA P06881 1/20 0.48
CALCB P10092 2/20 0.47

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
SCHEMBL7030609 1.00 CALCRL (0.51) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL29996226 1.00 CALCRL (0.51) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL13376816 0.89 CALCRL (0.49) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL16472008 0.89 ADM2 (0.52) CALCRLRAMP1ADM2CALCB
SCHEMBL15235229 0.87 CALCRL (0.49) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL31084970 0.86 CALCRL (0.51) CALCRLRAMP1ADM2CALCB
SCHEMBL12655038 0.86 CALCRL (0.51) CALCRLRAMP1ADM2CALCACALCB
SCHEMBL22796626 0.86 CALCRL (0.51) CALCRLRAMP1ADM2CALCB
SCHEMBL15236128 0.86 CALCRL (0.51) CALCRLRAMP1ADM2CALCB
SCHEMBL29416274 0.86 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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114245798-A CGRP antagonist compounds 赫普泰雅治疗有限公司 2022-03-25 CN 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
EP-2654421-B1 FUSED HETEROCYCLIC INDANE CARBOXAMIDE AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
US-9227973-B2 Pyridine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 US disclosed
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-01-29 US disclosed
US-8895572-B2 Fused heterocyclic indane carboxamide CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8895572-B2 Fused heterocyclic indane carboxamide CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-7390798-B2 Carboxamide spirolactam CGRP receptor antagonists MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 US disclosed
US-20080113966-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-05-15 US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
US-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
WO-2007016087-A2 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-08 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 (4 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-20070293470-A1 Carboxamide Spirolactam Cgrp Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885RAMP1 27/4885ADM2 234/4885
US-20080113966-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR CALCRL 4/4885RAMP1 116/4885ADM2 105/4885
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 24/4885ADM2 86/4885
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS CALCRL, P2RX3, P2RY1 CALCRL 1/4885RAMP1 125/4885ADM2 555/4885

“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.