SCHEMBL6508608

SCHEMBL6508608

CN1CCN(C2CCN(C(=O)C(Cc3cc(Cl)c(N)c(C(F)(F)F)c3)OC(=O)N3CCC(n4c(=O)[nH]c5c6ccccc6ncc54)CC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.49
RAMP1 O60894 2/20 0.49
CHRM1 P11229 3/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL6508603 1.00 CALCRL (0.49) CALCRLRAMP1CHRM1CHRM2CHRM4
SCHEMBL6506530 0.98 CALCRL (0.47) CALCRLRAMP1CHRM1CHRM2CHRM4
SCHEMBL6506537 0.98 CALCRL (0.47) CALCRLRAMP1CHRM1CHRM2CHRM4
SCHEMBL6510349 0.95 CALCRL (0.43) CALCRLRAMP1CHRM1
SCHEMBL6503455 0.94 CALCRL (0.45) CALCRLRAMP1CHRM1CYP3A4
SCHEMBL13313781 0.94 CALCRL (0.42) CALCRLRAMP1CHRM1CHRM2CHRM4
SCHEMBL3309604 0.89 CALCRL (0.63) CALCRLRAMP1CHRM1
SCHEMBL3309597 0.89 CALCRL (0.63) CALCRLRAMP1CHRM1
SCHEMBL2165100 0.88 CALCRL (0.42) CALCRLRAMP1CHRM1CHRM2CHRM4
SCHEMBL2165094 0.88 CALCRL (0.42) CALCRLRAMP1CHRM1CHRM2CHRM4

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 46/4885CHRM1 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.