SCHEMBL3320864

SCHEMBL3320864

Cc1ccc(OCC2CCCNC2)c(Oc2ccc(Cl)cc2F)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.44
SLC6A4 P31645 2/20 0.43
HTR6 P50406 1/20 0.43
S1PR4 O95977 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
KCNH2 Q12809 2/20 0.40
CTSS P25774 1/20 0.40
ACP1 P24666 2/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PIM1 P11309 2/20 0.39
PIM2 Q9P1W9 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GHSR Q92847 1/20 0.37

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
SCHEMBL3324210 1.00 SCN9A (0.44) SCN9ASLC6A4HTR6S1PR4IKBKB
SCHEMBL3328253 0.91 SCN9A (0.41) SCN9ASLC6A4HTR6IKBKBCHUK
SCHEMBL3324389 0.91 SCN9A (0.41) SCN9ASLC6A4HTR6IKBKBCHUK
Hydrochloric Acid SCHEMBL3324880 0.90 SCN9A (0.41) SCN9ASLC6A4HTR6IKBKBCHUK
Hydrochloric Acid SCHEMBL3324886 0.90 SCN9A (0.41) SCN9ASLC6A4HTR6IKBKBCHUK
SCHEMBL3325580 0.90 SCN9A (0.46) SCN9ASLC6A4IKBKBCHUKKCNH2
SCHEMBL3325306 0.90 S1PR4 (0.45) SLC6A4HTR6S1PR4IKBKBCHUK
SCHEMBL3325855 0.90 S1PR4 (0.45) SLC6A4HTR6S1PR4IKBKBCHUK
SCHEMBL3325572 0.90 SCN9A (0.46) SCN9ASLC6A4IKBKBCHUKKCNH2
SCHEMBL3330091 0.89 SCN9A (0.48) SCN9AIKBKBCHUKKCNH2CTSS

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 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 SCN9A 818/4885SLC6A4 1898/4885HTR6 832/4885

“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.