SCHEMBL4026985

SCHEMBL4026985

CCOC(=O)COc1cc(C2CCCNC2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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 SCHEMBL4027653 0.94 HTR2A (0.40) HTR2AKDM4EALDH1A1HPGDTSHR
Cadaverine Tartrate SCHEMBL4027657 0.94 HTR2A (0.40) HTR2AKDM4EALDH1A1HPGDTSHR
SCHEMBL4028330 0.80 HTR2A (0.46) HTR2A
SCHEMBL4029742 0.79
SCHEMBL27082395 0.77 PTGDR2 (0.55) HPGDTSHRMEN1KMT2APDE4B
SCHEMBL26473252 0.76 HTR2A (0.67) HTR2APDE4B
SCHEMBL26473246 0.76 HTR2A (0.67) HTR2APDE4B
SCHEMBL29001645 0.76
SCHEMBL29890627 0.76 PTGDR2 (0.57) HPGDTSHRMEN1KMT2APDE4B
SCHEMBL27082372 0.76 PTGDR2 (0.57) HPGDTSHRMEN1KMT2APDE4B

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 1523/4885KDM4E 4291/4885ALDH1A1 2006/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD HTR2A 1523/4885KDM4E 4291/4885ALDH1A1 2006/4885

“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.