SCHEMBL5659534

SCHEMBL5659534

Cc1cc(CC(N)C(=O)N2CCC(N3CCNCC3)CC2)cc2cc[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCA P06881 16/20 0.42
CALCRL Q16602 3/20 0.41
OPRK1 P41145 1/20 0.40

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
SCHEMBL5659254 0.92 AKT1 (0.40) CALCACALCRLOPRK1
SCHEMBL5661021 0.90 CALCRL (0.43) CALCACALCRLOPRK1
SCHEMBL5660926 0.89 OPRK1 (0.41) CALCACALCRLOPRK1
SCHEMBL5660541 0.89 F10 (0.46) CALCACALCRL
SCHEMBL5659571 0.85 CALCA (0.55) CALCA
SCHEMBL5659896 0.84 CALCRL (0.50) CALCRL
SCHEMBL5659284 0.84 F10 (0.43) CALCACALCRLOPRK1
SCHEMBL5658360 0.82 CALCA (0.56) CALCA
SCHEMBL5659650 0.81 CALCA (0.39) CALCACALCRL
SCHEMBL5659717 0.80 CALCA (0.39) CALCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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

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 CALCA 7/4885CALCRL 3/4885OPRK1 48/4885

“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.