SCHEMBL3324844

SCHEMBL3324844

Clc1cccc(Oc2ncccc2OCC2CCCNC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.46
CHUK O15111 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
HTR1A P08908 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
DRD2 P14416 1/20 0.41
DGAT2 Q96PD7 3/20 0.41
EED O75530 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39

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
SCHEMBL3325315 1.00 IKBKB (0.46) IKBKBCHUKPDE4APDE4BPDE4C
SCHEMBL3328684 0.88 IKBKB (0.45) IKBKBCHUKHTR1ASLC6A2CHRNB4
SCHEMBL3325252 0.88 IKBKB (0.45) IKBKBCHUKHTR1ASLC6A2CHRNB4
SCHEMBL3330214 0.88 IKBKB (0.46) IKBKBCHUKHTR1ASLC6A2SLC6A4
SCHEMBL3330413 0.88 IKBKB (0.46) IKBKBCHUKHTR1ASLC6A2SLC6A4
SCHEMBL3328733 0.88 IKBKB (0.46) IKBKBCHUKHTR2CHTR2BCHRNB4
SCHEMBL3323314 0.88 IKBKB (0.46) IKBKBCHUKHTR2CHTR2BCHRNB4
SCHEMBL3324922 0.87 SLC6A2 (0.45) IKBKBCHUKHTR1ASLC6A2SLC6A4
SCHEMBL3324913 0.87 SLC6A2 (0.45) IKBKBCHUKHTR1ASLC6A2SLC6A4
SCHEMBL3325444 0.87 IKBKB (0.53) IKBKBCHUKHTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US claimed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP claimed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO claimed
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 IKBKB 1359/4885CHUK 2338/4885PDE4A 319/4885

“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.