SCHEMBL3321606

SCHEMBL3321606

Cc1ccc(OCC2CCCNC2)c(Oc2c(F)ccc(F)c2F)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
FEN1 P39748 1/20 0.39
IKBKB O14920 2/20 0.39
CHUK O15111 2/20 0.39
CTSS P25774 1/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
IRAK4 Q9NWZ3 4/20 0.37
PIM1 P11309 3/20 0.37
PIM2 Q9P1W9 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CDC42BPB Q9Y5S2 1/20 0.37
MAP2K1 Q02750 1/20 0.36
KDM1A O60341 1/20 0.36
SYK P43405 2/20 0.35
KCNH2 Q12809 2/20 0.35
AURKB Q96GD4 2/20 0.35

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
SCHEMBL3325077 1.00 SCN9A (0.41) SCN9AFEN1IKBKBCHUKCTSS
SCHEMBL3324171 0.92 SCN9A (0.40) SCN9AFEN1IKBKBCHUKCTSS
SCHEMBL3321251 0.92 SCN9A (0.40) SCN9AFEN1IKBKBCHUKCTSS
SCHEMBL3321059 0.91 IKBKB (0.42) SCN9AFEN1IKBKBCHUKCTSS
SCHEMBL3321055 0.91 IKBKB (0.42) SCN9AFEN1IKBKBCHUKCTSS
SCHEMBL3324389 0.88 SCN9A (0.41) SCN9AFEN1IKBKBCHUKCTSS
SCHEMBL3328253 0.88 SCN9A (0.41) SCN9AFEN1IKBKBCHUKCTSS
SCHEMBL3321328 0.88 SCN9A (0.43) SCN9AFEN1IKBKBCHUKCTSS
SCHEMBL3321325 0.88 SCN9A (0.43) SCN9AFEN1IKBKBCHUKCTSS
Hydrochloric Acid SCHEMBL3324880 0.87 SCN9A (0.41) SCN9AFEN1IKBKBCHUKCTSS

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 SCN9A 818/4885FEN1 4514/4885IKBKB 1359/4885

“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.