SCHEMBL14044357

SCHEMBL14044357

CN(C)C1CCN(C(=O)COC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.51
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
RAMP1 O60894 3/20 0.47
CALCA P06881 1/20 0.47

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
SCHEMBL13772867 0.92 CALCRL (0.47) CALCRLRAMP1
SCHEMBL14044280 0.87 CALCRL (0.54) CALCRL
SCHEMBL14044286 0.87 CALCRL (0.60) CALCRLRAMP1
SCHEMBL14044425 0.86 CALCRL (0.61) CALCRL
SCHEMBL14044250 0.85 CALCRL (0.49) CALCRLCHRM4CHRM1RAMP1
SCHEMBL14400975 0.85 CALCRL (0.52) CALCRLRAMP1
SCHEMBL14044461 0.85 CALCRL (0.52) CALCRLRAMP1
SCHEMBL14044429 0.83 CALCRL (0.52) CALCRL
SCHEMBL14044428 0.83 CALCRL (0.56) CALCRLCHRM4RAMP1CALCA
SCHEMBL14044365 0.83 CALCRL (0.52) CALCRLCHRM4CHRM1RAMP1

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-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885CHRM4 277/4885CHRM1 68/4885

“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.