SCHEMBL14044244

SCHEMBL14044244

O=C(CNC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1)N1CCC(c2ccncc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.55
RAMP1 O60894 10/20 0.55
CHRM4 P08173 1/20 0.45

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
SCHEMBL14044282 0.84 CALCRL (0.53) CALCRLRAMP1CHRM4
SCHEMBL14044464 0.84 CALCRL (0.52) CALCRLRAMP1CHRM4
SCHEMBL14044362 0.81 CALCRL (0.54) CALCRLRAMP1CHRM4
SCHEMBL14044238 0.79 CALCRL (0.52) CALCRLRAMP1CHRM4
SCHEMBL14044285 0.79 CALCRL (0.51) CALCRLRAMP1CHRM4
SCHEMBL13907946 0.77 CALCRL (0.49) CALCRLRAMP1
SCHEMBL14205744 0.77 CALCRL (0.44) CALCRLRAMP1
SCHEMBL3960086 0.77 CALCRL (0.55) CALCRLRAMP1
SCHEMBL3278970 0.77 CALCRL (0.54) CALCRLRAMP1
SCHEMBL3277656 0.77 CALCRL (0.54) CALCRLRAMP1

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 1/4885RAMP1 46/4885CHRM4 277/4885

“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.