SCHEMBL5659643

SCHEMBL5659643

NC(=O)c1cc(C[CH]C(=O)N2CCC(N3CCNCC3)CC2)cc2nn[nH]c12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BTK Q06187 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
SCHEMBL5660456 0.94 PARP1 (0.33) BTK
SCHEMBL5658830 0.89 BTK (0.32) L3MBTL3L3MBTL1BTK
SCHEMBL5659568 0.83 CALCA (0.36) BTK
SCHEMBL5659529 0.81 IKBKB (0.40) L3MBTL3L3MBTL1BTK
SCHEMBL5658355 0.80 CALCA (0.37)
SCHEMBL5660284 0.80 ACACB (0.34) L3MBTL3L3MBTL1
SCHEMBL5660712 0.80 ACACB (0.34) L3MBTL3L3MBTL1
SCHEMBL5660488 0.78 PARP1 (0.35) BTK
SCHEMBL5659252 0.76 IKBKB (0.40) BTK
SCHEMBL5662184 0.75 CALCA (0.35)

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 L3MBTL3 4854/4885L3MBTL1 4753/4885BTK 3872/4885

“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.