SCHEMBL550614

SCHEMBL550614

Nc1ccc2c(c1)C[C@]1(C2)C(=O)Nc2ncccc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCA P06881 2/20 0.50
ADM2 Q7Z4H4 8/20 0.47
CALCB P10092 7/20 0.47
CALCRL Q16602 10/20 0.46
RAMP1 O60894 3/20 0.45

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
SCHEMBL29365536 1.00 CALCA (0.50) CALCAADM2CALCBCALCRLRAMP1
SCHEMBL260524 1.00 CALCA (0.50) CALCAADM2CALCBCALCRLRAMP1
SCHEMBL29368505 1.00 CALCA (0.50) CALCAADM2CALCBCALCRLRAMP1
SCHEMBL549390 1.00 CALCA (0.50) CALCAADM2CALCBCALCRLRAMP1
SCHEMBL1819423 0.89 CALCA (0.52) CALCAADM2CALCBCALCRLRAMP1
SCHEMBL10246001 0.86 CALCRL (0.51) CALCAADM2CALCBCALCRLRAMP1
SCHEMBL31039442 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL978566 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL838209 0.85 CALCRL (0.50) CALCRLRAMP1
SCHEMBL977185 0.85 CALCRL (0.50) 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438067-B1 SPIROLACTAMS AS CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2438067-B1 SPIROLACTAMS AS CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20090325991-A1 Spirolactam Bicyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-12-31 US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 US disclosed
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-10-01 US disclosed
US-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
US-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists MERCK SHARP & DOHME LLC 2009-04-23 US disclosed
WO-2007061677-A2 SPIROLACTAM ARYL CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061692-A2 SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 WO disclosed
WO-2007061696-A2 SPIROLACTAM BICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCA 12/4885ADM2 269/4885CALCB 11/4885
US-20090325991-A1 Spirolactam Bicyclic CGRP Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCA 5/4885ADM2 142/4885CALCB 6/4885
US-20090105219-A1 Spirolactam Tricyclic CGRP Receptor Antagonists BDKRB1, CALCRL, BDKRB2 CALCA 5/4885ADM2 353/4885CALCB 7/4885
US-20090247514-A1 Spirolactam aryl cgrp receptor antagonists CALCRL, BDKRB1, CALCR CALCA 5/4885ADM2 257/4885CALCB 8/4885

“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.