SCHEMBL13331986

SCHEMBL13331986

O=C(C[C@H](Cc1cc(Cl)c(O)c(C(F)(F)F)c1)C(=O)N1CCN(c2ccncc2)CC1)N1CCC(N2CCc3ccccc3NC2=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.67
RAMP1 O60894 5/20 0.67
CALCA P06881 1/20 0.46
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3308468 0.93 CALCRL (0.77) CALCRLRAMP1CALCACYP3A4
SCHEMBL3308463 0.93 CALCRL (0.77) CALCRLRAMP1CALCACYP3A4
SCHEMBL13331894 0.91 CALCRL (0.66) CALCRLRAMP1CALCACYP3A4
SCHEMBL13331667 0.91 CALCRL (0.70) CALCRLRAMP1CALCA
SCHEMBL3311450 0.89 CALCRL (0.67) CALCRLRAMP1CALCA
SCHEMBL3311444 0.89 CALCRL (0.67) CALCRLRAMP1CALCA
SCHEMBL3519835 0.89 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL3519842 0.89 CALCRL (0.76) CALCRLRAMP1CYP3A4
SCHEMBL13313742 0.88 CALCRL (0.70) CALCRLRAMP1CYP3A4
SCHEMBL13712791 0.88 CALCRL (0.78) CALCRLRAMP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7595312-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-09-29 US 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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 84/4885CALCA 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.