SCHEMBL3044119

SCHEMBL3044119

CC1CN(C(=O)c2ccnc(Nc3ccc4c(c3)CC3(C4)C(=O)Nc4ncccc43)c2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 16/20 0.48
ADM2 Q7Z4H4 3/20 0.43
CALCB P10092 3/20 0.43
RAMP1 O60894 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
SCHEMBL550188 0.89 CALCRL (0.48) CALCRLADM2CALCB
SCHEMBL3042047 0.88 CALCRL (0.48) CALCRLADM2CALCBRAMP1
SCHEMBL3047688 0.85 CALCRL (0.48) CALCRLADM2CALCBRAMP1
SCHEMBL549381 0.84 CALCRL (0.50) CALCRLADM2CALCBRAMP1
SCHEMBL13068919 0.84 CALCRL (0.43) CALCRLADM2CALCBRAMP1
SCHEMBL3049409 0.83 CALCRL (0.67) CALCRLCALCBRAMP1
SCHEMBL12923066 0.82 CALCRL (0.47) CALCRLADM2CALCB
SCHEMBL3037918 0.81 CALCRL (0.47) CALCRLRAMP1
SCHEMBL12923070 0.81 CALCRL (0.45) CALCRLADM2CALCBRAMP1
SCHEMBL550276 0.80 ADM2 (0.51) CALCRLADM2CALCBRAMP1

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 7 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-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

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 1/4885ADM2 245/4885CALCB 9/4885

“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.