SCHEMBL3328898

SCHEMBL3328898

Fc1cc(Oc2ncccc2OC[C@H]2CCCNC2)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.45
HTR1A P08908 4/20 0.45
SLC6A4 P31645 3/20 0.45
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
PIM1 P11309 1/20 0.41
DGAT2 Q96PD7 3/20 0.39
SCN9A Q15858 1/20 0.39
MAP2K1 Q02750 1/20 0.38
IRAK4 Q9NWZ3 3/20 0.38
SLC6A3 Q01959 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38

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
SCHEMBL3322173 1.00 SLC6A2 (0.45) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3324913 0.92 SLC6A2 (0.45) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3324922 0.92 SLC6A2 (0.45) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3330231 0.91 IKBKB (0.46) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3321116 0.91 IKBKB (0.46) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3330413 0.91 IKBKB (0.46) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3321118 0.91 IKBKB (0.46) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3330214 0.91 IKBKB (0.46) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3330333 0.87 IKBKB (0.42) SLC6A2HTR1ASLC6A4IKBKBCHUK
SCHEMBL3325969 0.87 IKBKB (0.42) SLC6A2HTR1ASLC6A4IKBKBCHUK

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 SLC6A2 2609/4885HTR1A 302/4885SLC6A4 1898/4885

“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.