SCHEMBL4028330

SCHEMBL4028330

CCOC(=O)C(C)(C)Oc1cc(C2CCCNC2)ccc1C

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.46
FBP1 P09467 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
Cadaverine Tartrate SCHEMBL4031980 0.94 HTR2A (0.41) HTR2AFBP1
Cadaverine Tartrate SCHEMBL4031976 0.94 HTR2A (0.41) HTR2AFBP1
SCHEMBL5348343 0.83 PPARA (0.48) HTR2AFBP1
SCHEMBL5361918 0.83 PPARA (0.48) HTR2AFBP1
SCHEMBL4036258 0.83 PPARA (0.48) HTR2AFBP1
SCHEMBL4026985 0.80 HTR2A (0.45) HTR2A
Cadaverine Tartrate SCHEMBL4028282 0.79 BCL9 (0.44) HTR2AFBP1
Cadaverine Tartrate SCHEMBL4028278 0.79 BCL9 (0.44) HTR2AFBP1
SCHEMBL27874673 0.77 FBP1 (0.53) HTR2AFBP1
Cadaverine Tartrate SCHEMBL4027657 0.75 HTR2A (0.40) HTR2A

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
EP-1567493-B1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PROD INC (US) 2009-03-18 EP disclosed
US-20070191429-A1 PPAR ACTIVATORS PFIZER INC. (US) 2007-08-16 US disclosed
US-7199243-B2 Piperidine compounds useful as PPAR activators PFIZER INC. (US) 2007-04-03 US disclosed
EP-1567493-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20040157885-A1 PPAR activators PFIZER INC 2004-08-12 US disclosed
WO-2004048334-A1 PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS PFIZER PRODUCTS INC. (US) 2004-06-10 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 (2 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-20070191429-A1 PPAR ACTIVATORS PPARA, PPARG, PPARD HTR2A 1523/4885FBP1 1311/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD HTR2A 1523/4885FBP1 1311/4885

“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.