SCHEMBL549181

SCHEMBL549181

CCC1Cc2ccc(F)cc2N1C(=O)c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ccn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.49
RAMP1 O60894 3/20 0.48
CALCA P06881 1/20 0.48
ADM2 Q7Z4H4 2/20 0.43
CALCB P10092 2/20 0.43

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
SCHEMBL550180 0.91 CALCRL (0.48) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL13068730 0.83 CALCRL (0.44) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL550309 0.83 CALCRL (0.51) CALCRLADM2CALCB
SCHEMBL3049089 0.80 CALCRL (0.46) CALCRLRAMP1CALCAADM2
SCHEMBL549320 0.78 CALCRL (0.50) CALCRLADM2CALCB
SCHEMBL549078 0.77 ADM2 (0.52) CALCRLRAMP1CALCAADM2CALCB
SCHEMBL549075 0.76 CALCRL (0.52) CALCRLADM2CALCB
SCHEMBL3042047 0.76 CALCRL (0.48) CALCRLRAMP1ADM2CALCB
SCHEMBL3047307 0.75 CALCRL (0.48) CALCRLRAMP1CALCA
SCHEMBL3049956 0.75 CALCRL (0.50) CALCRLRAMP1CALCAADM2CALCB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225227-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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 (1 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 121/4885CALCA 3/4885

“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.