SCHEMBL3324657

SCHEMBL3324657

c1ccc(COc2ncccc2OCC2CCCNC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
ACP1 P24666 1/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
CDC42BPB Q9Y5S2 1/20 0.42
PIM1 P11309 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
SLC6A4 P31645 2/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL3324651 1.00 IKBKB (0.49) IKBKBCHUKCHRNB4CHRNA3CHRNB2
Fumaric Acid SCHEMBL27772370 0.92 IKBKB (0.43) IKBKBCHUKCHRNB4CHRNA3CHRNB2
Fumaric Acid SCHEMBL27772372 0.92 IKBKB (0.43) IKBKBCHUKCHRNB4CHRNA3CHRNB2
Fumaric Acid SCHEMBL27772374 0.92 IKBKB (0.43) IKBKBCHUKCHRNB4CHRNA3CHRNB2
SCHEMBL3321366 0.89 IKBKB (0.48) IKBKBCHUKCHRNB4CHRNA3CHRNB2
SCHEMBL3321227 0.89 IKBKB (0.48) IKBKBCHUKCHRNB4CHRNA3CHRNB2
SCHEMBL3325177 0.88 IKBKB (0.47) IKBKBCHUKCHRNB4CHRNA3CHRNB2
SCHEMBL3325101 0.88 IKBKB (0.47) IKBKBCHUKCHRNB4CHRNA3CHRNB2
SCHEMBL27751588 0.86 SLC6A4 (0.51) IKBKBCHUKCHRNB4CHRNA3CHRNB2
SCHEMBL3324347 0.86 SLC6A4 (0.51) IKBKBCHUKCHRNB4CHRNA3CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US disclosed
CN-101506164-A Piperidine derivatives PFIZER PROD INC (US) 2009-08-12 CN 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 2338/4885CHRNB4 2865/4885

“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.