SCHEMBL6509426

SCHEMBL6509426

Nc1c(Cl)cc(C[C@@H](OC(=O)N2CCC(n3nc(-c4ccccc4)[nH]c3=O)CC2)C(=O)N2CCN(C3CN4CCC3CC4)CC2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 18/20 0.40
RAMP1 O60894 4/20 0.40
CTSS P25774 1/20 0.31

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
SCHEMBL6509436 1.00 CALCRL (0.40) CALCRLRAMP1CTSS
SCHEMBL6509432 1.00 CALCRL (0.40) CALCRLRAMP1CTSS
SCHEMBL6504866 0.89 CALCRL (0.50) CALCRLRAMP1
SCHEMBL6504879 0.89 CALCRL (0.50) CALCRLRAMP1
SCHEMBL6503913 0.89 CALCRL (0.45) CALCRLRAMP1CTSS
SCHEMBL6506605 0.88 CALCRL (0.48) CALCRLRAMP1
SCHEMBL12881781 0.88 CALCRL (0.39) CALCRLRAMP1CTSS
SCHEMBL12881783 0.87 CALCRL (0.40) CALCRLRAMP1CTSS
SCHEMBL13046503 0.86 CALCRL (0.37) CALCRLRAMP1CTSS
SCHEMBL14034846 0.86 CALCRL (0.42) CALCRLRAMP1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250763-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-10 US claimed

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-20050250763-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA CALCRL 1/4885RAMP1 46/4885CTSS 1357/4885

“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.