SCHEMBL14044249

SCHEMBL14044249

CN1CCCN(C2CCN(C(=O)COC(=O)N3CCC(N4CCc5ccccc5NC4=O)CC3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.52
RAMP1 O60894 3/20 0.52
ACHE P22303 1/20 0.46

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
SCHEMBL14017817 0.96 CALCRL (0.55) CALCRLRAMP1ACHE
SCHEMBL14044248 0.94 CALCRL (0.52) CALCRLRAMP1ACHE
SCHEMBL14044251 0.93 CALCRL (0.51) CALCRLRAMP1ACHE
SCHEMBL13772886 0.92 CALCRL (0.52) CALCRLRAMP1ACHE
SCHEMBL13655701 0.90 CALCRL (0.49) CALCRLRAMP1
SCHEMBL14016560 0.89 CALCRL (0.50) CALCRLRAMP1ACHE
SCHEMBL13655714 0.89 CALCRL (0.49) CALCRLRAMP1
SCHEMBL13655640 0.88 CALCRL (0.48) CALCRLRAMP1
SCHEMBL14044280 0.88 CALCRL (0.54) CALCRLACHE
SCHEMBL14016552 0.88 CALCRL (0.49) CALCRLRAMP1ACHE

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 46/4885ACHE 786/4885

“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.