SCHEMBL5659282

SCHEMBL5659282

CN1CCC(C2CCN(C(=O)[CH]Cc3cc(C(N)=O)c4[nH]ccc4c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.40
CHUK O15111 10/20 0.40
F10 P00742 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
PDPK1 O15530 1/20 0.35
BTK Q06187 3/20 0.34
ADRB1 P08588 1/20 0.34
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
SCHEMBL5660922 0.90 IKBKB (0.40) IKBKBCHUKF10PDPK1BTK
SCHEMBL5659437 0.83 BTK (0.36) JAK2JAK1JAK3BTKPARP1
SCHEMBL5659529 0.83 IKBKB (0.40) IKBKBCHUKPDPK1BTKPARP1
SCHEMBL5659252 0.82 IKBKB (0.40) IKBKBCHUKPDPK1BTKPARP1
SCHEMBL5657432 0.74 CHRNA7 (0.43) PARP1PARP2
SCHEMBL5660539 0.74 ACACB (0.36)
SCHEMBL5661018 0.74 ACACB (0.36)
SCHEMBL5658727 0.74 BTK (0.36) F10BTKPARP1
SCHEMBL5658732 0.74 NAMPT (0.37) JAK2JAK1JAK3BTK
SCHEMBL5661407 0.70 BTK (0.36) IKBKBJAK2JAK1JAK3BTK

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 IKBKB 868/4885CHUK 851/4885F10 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.