SCHEMBL3324570

SCHEMBL3324570

CCOc1ncccc1OC[C@H]1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.51
CHRNA3 P32297 2/20 0.51
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
ACP1 P24666 1/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDC42BPB Q9Y5S2 1/20 0.44
IRAK4 Q9NWZ3 6/20 0.44
DGAT2 Q96PD7 3/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 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
SCHEMBL3321341 1.00 CHRNB4 (0.51) CHRNB4CHRNA3IKBKBCHUKACP1
SCHEMBL13333549 0.89 CHRNB4 (0.65) CHRNB4CHRNA3IKBKBCHUKACP1
SCHEMBL4238989 0.87 CHRNB4 (0.46) CHRNB4CHRNA3IKBKBCHUKACP1
SCHEMBL3329967 0.87 CHRNB4 (0.48) CHRNB4CHRNA3IKBKBCHUKCHRNB2
SCHEMBL3325361 0.87 CHRNB4 (0.48) CHRNB4CHRNA3IKBKBCHUKCHRNB2
SCHEMBL3329157 0.85 IRAK4 (0.54) CHRNB4CHRNA3IKBKBCHUKCHRNB2
SCHEMBL3324245 0.85 IRAK4 (0.54) CHRNB4CHRNA3IKBKBCHUKCHRNB2
SCHEMBL3324657 0.84 IKBKB (0.49) CHRNB4CHRNA3IKBKBCHUKACP1
SCHEMBL3324651 0.84 IKBKB (0.49) CHRNB4CHRNA3IKBKBCHUKACP1
SCHEMBL3323225 0.84 HTR1A (0.54) CHRNB4CHRNA3IKBKBCHUKCHRNB2

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 CHRNB4 2865/4885CHRNA3 1487/4885IKBKB 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.