SCHEMBL4560312

SCHEMBL4560312

CCCc1ccc(C(N)=O)c(N)c1C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.38
CDC7 O00311 1/20 0.37
IKBKB O14920 3/20 0.36
CHUK O15111 2/20 0.36
PDGFRA P16234 1/20 0.36
EPHA3 P29320 1/20 0.36
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
PARP2 Q9UGN5 2/20 0.34
PLAT P00750 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
SCHEMBL6233771 0.91 PARP1 (0.36) PARP1CDC7IKBKBCHUK
SCHEMBL17786111 0.75 PARP1 (0.38) PARP1CDC7IKBKBCHUKPARP2
SCHEMBL17786119 0.73 IKBKB (0.47) PARP1CDC7IKBKBCHUKPARP2
SCHEMBL7449857 0.70 PARP1 (0.38) PARP1
SCHEMBL5808501 0.70 HTR2C (0.44) PARP1CDC7IKBKBCHUKPARP2
SCHEMBL28325510 0.70 PARP1 (0.57) PARP1CDC7IKBKBCHUKPARP2
SCHEMBL20400462 0.68 PARP1 (0.44) PARP1IKBKBCHUKPARP2
SCHEMBL27602072 0.68 PARP1 (0.44) PARP1CDC7IKBKBCHUKPARP2
SCHEMBL28853765 0.68 PARP1 (0.52) PARP1CDC7IKBKBCHUKPARP2
SCHEMBL3809365 0.67 PARP1 (0.51) PARP1CDC7IKBKBCHUKPARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576105-B2 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives JANSSEN PHARMACEUTICA, NV (BE) 2009-08-18 US disclosed
US-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives BAXTER ELLEN W 2006-05-18 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-20060106066-A1 Benzyl substituted (piperidin-4-yl)aminobenzamido derivatives OPRD1, OPRK1, OPRM1 PARP1 2731/4885CDC7 4786/4885IKBKB 780/4885

“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.