SCHEMBL3324381

SCHEMBL3324381

Cc1ccc(OCC2CCCNC2)c(Oc2ccccc2OC(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.49
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
IKBKB O14920 2/20 0.43
CHUK O15111 1/20 0.43
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
CTSS P25774 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL3324379 1.00 IRAK4 (0.49) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3325033 0.88 CHRNB4 (0.45) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3325029 0.88 CHRNB4 (0.45) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3325170 0.87 IRAK4 (0.53) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3324261 0.87 IRAK4 (0.53) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3324549 0.87 IKBKB (0.46) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3324556 0.87 IKBKB (0.46) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3320736 0.85 IKBKB (0.45) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3326074 0.85 IKBKB (0.45) IRAK4PIM1PIM2IKBKBCHUK
SCHEMBL3321236 0.85 IKBKB (0.51) IRAK4PIM1PIM2IKBKBCHUK

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-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US disclosed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO 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-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 IRAK4 1593/4885PIM1 3450/4885PIM2 3493/4885

“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.