SCHEMBL3050448

SCHEMBL3050448

O=C(c1cc(Nc2ccc3c(c2)CC2(C3)C(=O)Nc3ncccc32)ncn1)N1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCB P10092 3/20 0.47
CALCRL Q16602 16/20 0.46
ADM2 Q7Z4H4 3/20 0.44
RAMP1 O60894 2/20 0.44
CALCA P06881 1/20 0.44

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
SCHEMBL3050811 1.00 CALCB (0.47) CALCBCALCRLADM2RAMP1CALCA
SCHEMBL3043260 1.00 CALCB (0.47) CALCBCALCRLADM2RAMP1CALCA
SCHEMBL3168719 0.99 CALCB (0.47) CALCBCALCRLADM2RAMP1CALCA
SCHEMBL3044880 0.91 CALCRL (0.46) CALCBCALCRLADM2
SCHEMBL3047139 0.90 CALCRL (0.44) CALCBCALCRLADM2RAMP1CALCA
SCHEMBL550410 0.90 CALCRL (0.46) CALCBCALCRLADM2RAMP1CALCA
SCHEMBL3039948 0.88 CALCB (0.48) CALCBCALCRLADM2RAMP1CALCA
SCHEMBL550275 0.88 CALCB (0.43) CALCBCALCRLADM2
SCHEMBL3044651 0.87 CALCRL (0.43) CALCBCALCRLADM2
SCHEMBL549094 0.87 CALCRL (0.42) CALCBCALCRLADM2

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
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
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 CALCB 9/4885CALCRL 1/4885ADM2 245/4885

“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.