SCHEMBL4469121

SCHEMBL4469121

CCOC(=O)C1CC[N+](C2(C(=O)OCC)CCN(C(=O)[C@@H](Cc3cc(C)c4[nH]c(=O)oc4c3)OC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.56
RAMP1 O60894 1/20 0.56
CYP3A4 P08684 3/20 0.42

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
SCHEMBL2086522 0.90 CALCRL (0.67) CALCRLRAMP1
SCHEMBL4482151 0.90 CALCRL (0.58) CALCRLRAMP1CYP3A4
SCHEMBL4469115 0.90 CALCRL (0.66) CALCRLRAMP1CYP3A4
SCHEMBL2087352 0.87 CALCRL (0.56) CALCRLRAMP1
SCHEMBL13600961 0.86 CALCRL (0.64) CALCRLRAMP1CYP3A4
SCHEMBL4479412 0.85 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL13601365 0.85 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL4479414 0.85 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL13601349 0.85 CALCRL (0.67) CALCRLRAMP1CYP3A4
SCHEMBL4473659 0.85 CALCRL (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625886-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-20070099903-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070099903-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 45/4885CYP3A4 1256/4885

“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.