SCHEMBL5657714

SCHEMBL5657714

CCc1cc(C[CH]C(=O)N2CCC(N3CCN(C(N)=O)CC3)CC2)cc2cn[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CALCA P06881 17/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
CALCRL Q16602 1/20 0.37

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
SCHEMBL5659279 1.00 CYP3A4 (0.42) CYP3A4CALCAACACBACACACALCRL
SCHEMBL5659680 0.91 CYP3A4 (0.37) CYP3A4CALCAACACBCALCRL
SCHEMBL5660412 0.90 CALCA (0.47) CALCACALCRL
SCHEMBL5661661 0.90 CALCA (0.47) CALCACALCRL
SCHEMBL5658553 0.88 CALCRL (0.42) CYP3A4CALCAACACBACACACALCRL
SCHEMBL5657191 0.88 CALCA (0.40) CALCAACACBACACA
SCHEMBL5661064 0.88 CALCRL (0.42) CYP3A4CALCAACACBACACACALCRL
SCHEMBL5661443 0.88 CALCA (0.40) CALCAACACBACACA
SCHEMBL5658597 0.87 CALCA (0.48) CALCACALCRL
SCHEMBL5658244 0.87 CALCA (0.48) CALCACALCRL

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
EP-1722792-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-22 EP claimed
WO-2005084672-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO claimed
US-7205294-B2 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-17 US disclosed
EP-1722792-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-22 EP disclosed
US-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 US disclosed
WO-2005084672-A1 SELECTED CGRP-ANTAGONISTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO 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-20050227968-A1 Selected CGRP-antagonists process for preparing them and their use as pharmaceutical compositions BDKRB1, BDKRB2, CALCRL CYP3A4 1053/4885CALCA 7/4885ACACB 4648/4885

“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.