SCHEMBL13303231

SCHEMBL13303231

CCOC(=O)CN1CCC(C2CCN(C(=O)[C@@H](Cc3ccc(CC)c(CC)c3)NC(=O)N3CCC(n4c(=O)[nH]c5c6ccccc6ncc54)CC3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 19/20 0.45
CYP3A4 P08684 10/20 0.44
RAMP1 O60894 2/20 0.41
CALCA P06881 1/20 0.39

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
SCHEMBL13303229 0.94 CALCRL (0.49) CALCRLCYP3A4CALCA
SCHEMBL3282603 0.93 CALCRL (0.46) CALCRLCYP3A4RAMP1
SCHEMBL3278156 0.87 CALCRL (0.51) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3342254 0.87 CALCRL (0.45) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3278144 0.87 CALCRL (0.51) CALCRLCYP3A4RAMP1CALCA
SCHEMBL3282456 0.85 CALCRL (0.52) CALCRLCYP3A4
SCHEMBL6226167 0.85 CALCRL (0.52) CALCRLCYP3A4
SCHEMBL3278960 0.85 CALCRL (0.51) CALCRLCYP3A4RAMP1
SCHEMBL6224254 0.81 CALCRL (0.45) CALCRLCYP3A4RAMP1
SCHEMBL3282820 0.79 CALCRL (0.44) CALCRLCYP3A4RAMP1CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-20100152171-A1 CGRP Antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-17 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-7700589-B2 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-04-20 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 US disclosed
US-20070244099-A1 CGRP Antagonists RUDOLF KLAUS 2007-10-18 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 (2 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-20070244099-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885CYP3A4 2631/4885RAMP1 36/4885
US-20100152171-A1 CGRP Antagonists CALCRL, OPRL1, CALCA CALCRL 1/4885CYP3A4 2631/4885RAMP1 36/4885

“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.