SCHEMBL3326068

SCHEMBL3326068

Fc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
IKBKB O14920 2/20 0.46
CHUK O15111 2/20 0.46
GHSR Q92847 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
DGAT2 Q96PD7 3/20 0.41
SLC6A2 P23975 3/20 0.41
HTR1A P08908 2/20 0.41
PIM1 P11309 1/20 0.41
SLC6A4 P31645 2/20 0.40
MAP2K1 Q02750 1/20 0.40
SLC6A3 Q01959 1/20 0.40
IRAK4 Q9NWZ3 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
SCHEMBL3321199 1.00 CHRNB4 (0.47) CHRNB4CHRNA3IKBKBCHUKGHSR
SCHEMBL3324791 1.00 CHRNB4 (0.47) CHRNB4CHRNA3IKBKBCHUKGHSR
SCHEMBL3325444 0.91 IKBKB (0.53) CHRNB4CHRNA3IKBKBCHUKROCK2
SCHEMBL3325559 0.91 IKBKB (0.53) CHRNB4CHRNA3IKBKBCHUKROCK2
SCHEMBL3325450 0.91 IKBKB (0.53) CHRNB4CHRNA3IKBKBCHUKROCK2
SCHEMBL3328684 0.90 IKBKB (0.45) CHRNB4CHRNA3IKBKBCHUKROCK2
SCHEMBL3325590 0.90 CHRNB4 (0.52) CHRNB4CHRNA3IKBKBCHUKROCK2
SCHEMBL3320914 0.90 CHRNB4 (0.52) CHRNB4CHRNA3IKBKBCHUKROCK2
SCHEMBL3324758 0.90 CHRNB4 (0.46) CHRNB4CHRNA3IKBKBCHUKROCK2
SCHEMBL3325252 0.90 IKBKB (0.45) CHRNB4CHRNA3IKBKBCHUKROCK2

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 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.