SCHEMBL3324903

SCHEMBL3324903

N#Cc1ccc(Oc2ncccc2OC[C@H]2CCCNC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.47
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
DGAT2 Q96PD7 3/20 0.40
KCNH2 Q12809 2/20 0.40
RCOR1 Q9UKL0 1/20 0.40
MAP2K1 Q02750 1/20 0.39
SLC6A3 Q01959 1/20 0.39
IRAK4 Q9NWZ3 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
SCHEMBL3324906 1.00 KDM1A (0.47) KDM1ASLC6A2SLC6A4IKBKBCHUK
SCHEMBL3326068 0.89 CHRNB4 (0.47) SLC6A2SLC6A4IKBKBCHUKCHRNB4
SCHEMBL3321199 0.89 CHRNB4 (0.47) SLC6A2SLC6A4IKBKBCHUKCHRNB4
SCHEMBL3324791 0.89 CHRNB4 (0.47) SLC6A2SLC6A4IKBKBCHUKCHRNB4
SCHEMBL3325450 0.89 IKBKB (0.53) SLC6A2SLC6A4IKBKBCHUKCHRNB4
SCHEMBL3325444 0.89 IKBKB (0.53) SLC6A2SLC6A4IKBKBCHUKCHRNB4
SCHEMBL3325559 0.89 IKBKB (0.53) SLC6A2SLC6A4IKBKBCHUKCHRNB4
SCHEMBL3328684 0.88 IKBKB (0.45) SLC6A2IKBKBCHUKCHRNB4CHRNA3
SCHEMBL3324758 0.88 CHRNB4 (0.46) KDM1ASLC6A2SLC6A4IKBKBCHUK
SCHEMBL3320914 0.88 CHRNB4 (0.52) SLC6A2SLC6A4IKBKBCHUKCHRNB4

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 KDM1A 870/4885SLC6A2 2609/4885SLC6A4 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.