SCHEMBL5656758

SCHEMBL5656758

NC(=O)Cc1cc(C[CH]C(=O)N2CCC(C3CCNCC3)CC2)cc2cn[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
ST14 Q9Y5Y6 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 2/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL5660673 0.89 CYP3A4 (0.36) CYP3A4
SCHEMBL5658524 0.89 CALCA (0.33) BTKCYP3A4
SCHEMBL5658727 0.87 BTK (0.36) BTKF2F10PLGPLAU
SCHEMBL4852142 0.84 CYP3A4 (0.42) CYP3A4
SCHEMBL5659680 0.84 CYP3A4 (0.37) BTKCYP3A4ROCK2
SCHEMBL5660254 0.79 CYP3A4 (0.36) BTKCYP3A4ROCK2
SCHEMBL5658453 0.79 CALCA (0.33) BTKCYP3A4ROCK2
SCHEMBL5659437 0.77 BTK (0.36) BTKCYP3A4ROCK2
SCHEMBL4594181 0.77
SCHEMBL5657726 0.77 RXRA (0.40) BTKF2F10CYP3A4ROCK2

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 BTK 3872/4885F2 578/4885F10 709/4885

“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.