SCHEMBL3049409

SCHEMBL3049409

O=C1CC2CN(C(=O)c3ccnc(Nc4ccc5c(c4)CC4(C5)C(=O)Nc5ncccc54)c3)c3cccc(c32)N1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.67
RAMP1 O60894 3/20 0.40
CALCA P06881 1/20 0.40
CALCB P10092 1/20 0.40

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
SCHEMBL3050506 0.89 CALCRL (0.67) CALCRLRAMP1CALCACALCB
SCHEMBL3044119 0.83 CALCRL (0.48) CALCRLRAMP1CALCB
SCHEMBL3047688 0.81 CALCRL (0.48) CALCRLRAMP1CALCACALCB
Epimer A SCHEMBL260272 0.80 CALCRL (1.00) CALCRLRAMP1CALCA
SCHEMBL549381 0.80 CALCRL (0.50) CALCRLRAMP1CALCACALCB
SCHEMBL12923066 0.80 CALCRL (0.47) CALCRLCALCB
SCHEMBL3037918 0.80 CALCRL (0.47) CALCRLRAMP1CALCA
SCHEMBL1819053 0.79 CALCRL (0.70) CALCRLCALCA
SCHEMBL12628026 0.79 CALCRL (0.70) CALCRLCALCA
SCHEMBL550276 0.78 ADM2 (0.51) CALCRLRAMP1CALCACALCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885RAMP1 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.