SCHEMBL1198570

SCHEMBL1198570

O=C1NCC(c2ccc(O)cc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 1.00

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
SCHEMBL13672426 0.76 CALCRL (0.63) CALCRL
SCHEMBL12657930 0.76 CALCRL (0.87) CALCRL
SCHEMBL13225667 0.76 CALCRL (1.00) CALCRL
SCHEMBL12873998 0.76 CALCRL (0.81) CALCRL
SCHEMBL5479542 0.76 CALCRL (0.85) CALCRL
SCHEMBL1825103 0.76 CALCRL (0.85) CALCRL
SCHEMBL15624238 0.75 CALCRL (0.80) CALCRL
SCHEMBL2100682 0.75 CALCRL (0.63) CALCRL
SCHEMBL13074126 0.74 CALCRL (0.59) CALCRL
SCHEMBL12087688 0.74 CALCRL (0.61) CALCRL

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039694-B1 CGRP receptor antagonists MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
EP-2039694-B1 CGRP receptor antagonists MERCK SHARP & DOHME (US) 2014-03-26 EP disclosed
US-7893052-B2 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2011-02-22 US disclosed
US-7893052-B2 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2011-02-22 US disclosed
US-20100298303-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-11-25 US disclosed
US-20100298303-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-11-25 US disclosed
US-20100298303-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-11-25 US disclosed
US-7772224-B2 Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches MERCK SHARP & DOHME CORP. (US) 2010-08-10 US disclosed
US-7772224-B2 Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches MERCK SHARP & DOHME CORP. (US) 2010-08-10 US disclosed
US-7772224-B2 Calcitonin gene-related peptide (CGRP) receptor antagonists such as N-[1-(2,3-Difluorobenzyl)-5-oxo-4-(2,22-trifluoroethyl)-1,4-diazepan-6-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide, used for treating headaches MERCK SHARP & DOHME CORP. (US) 2010-08-10 US disclosed
US-20080090806-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070225272-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-09-27 US disclosed
US-20070225272-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-09-27 US disclosed
US-20070225272-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-09-27 US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 US disclosed
US-7235545-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2007-06-26 US disclosed
US-20050256098-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2005-11-17 US disclosed
US-6953790-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2005-10-11 US disclosed
US-20040229861-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2004-11-18 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 (5 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-20080090806-A1 Cgrp Receptor Antagonists CCKBR, BDKRB1, BDKRB2 CALCRL 5/4885
US-20040229861-A1 CGRP receptor antagonists CCKBR, CCKAR, CALCRL CALCRL 3/4885
US-20050256098-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 CALCRL 6/4885
US-20100298303-A1 CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB1, BDKRB2 CALCRL 6/4885
US-20070225272-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 CALCRL 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.