SCHEMBL3325539

SCHEMBL3325539

CC(C)COc1cccc(F)c1OCC1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.46
HTR1A P08908 3/20 0.44
SLC6A2 P23975 3/20 0.44
SCN9A Q15858 1/20 0.41
IKBKB O14920 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
IRAK4 Q9NWZ3 7/20 0.39
ALOX15 P16050 1/20 0.39
PIM1 P11309 1/20 0.39
EED O75530 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
SCHEMBL3325558 1.00 FEN1 (0.46) FEN1HTR1ASLC6A2SCN9AIKBKB
SCHEMBL3326057 0.87 SLC6A2 (0.46) FEN1HTR1ASLC6A2SCN9AIKBKB
SCHEMBL3326063 0.87 SLC6A2 (0.46) FEN1HTR1ASLC6A2SCN9AIKBKB
SCHEMBL3321594 0.86 HTR1A (0.47) FEN1HTR1ASLC6A2SCN9AIKBKB
SCHEMBL3325185 0.86 HTR1A (0.47) FEN1HTR1ASLC6A2SCN9AIKBKB
SCHEMBL3325164 0.84 IKBKB (0.47) HTR1ASLC6A2SCN9AIKBKBIRAK4
Hydrochloric Acid SCHEMBL3324980 0.83 IKBKB (0.46) HTR1ASLC6A2IKBKBIRAK4ALOX15
SCHEMBL3325416 0.81 SLC6A2 (0.50) FEN1HTR1ASLC6A2IKBKB
SCHEMBL3328235 0.81 SLC6A2 (0.50) FEN1HTR1ASLC6A2IKBKB
SCHEMBL27751579 0.78 SCN9A (0.45) FEN1HTR1ASLC6A2SCN9AF2

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 disclosed
CN-101506164-A Piperidine derivatives PFIZER PROD INC (US) 2009-08-12 CN 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 FEN1 4514/4885HTR1A 302/4885SLC6A2 2609/4885

“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.