SCHEMBL4029702

SCHEMBL4029702

CCOC(=O)COc1cc(C2CCCN(C(=O)OCc3ccc(C(F)(F)F)cc3)C2)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 9/20 0.48
CTNNB1 P35222 9/20 0.48
PDE4B Q07343 3/20 0.44
PROKR1 Q8TCW9 2/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PREP P48147 2/20 0.38
TRPC3 Q13507 1/20 0.38
TRPC7 Q9HCX4 1/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL4026696 0.92 BCL9 (0.51) BCL9CTNNB1PDE4BPROKR1
SCHEMBL4026692 0.92 BCL9 (0.51) BCL9CTNNB1PDE4BPROKR1
SCHEMBL4035709 0.92 BCL9 (0.51) BCL9CTNNB1PDE4BPROKR1
SCHEMBL4030607 0.89 PDE4B (0.55) BCL9CTNNB1PDE4BSMN1; SMN2
SCHEMBL4036662 0.86 BCL9 (0.53) BCL9CTNNB1PDE4BPROKR1KDM4E
SCHEMBL4035770 0.85 BCL9 (0.51) BCL9CTNNB1PDE4B
SCHEMBL4034464 0.84 BCL9 (0.51) BCL9CTNNB1PDE4BPROKR1KDM4E
SCHEMBL4034468 0.84 BCL9 (0.51) BCL9CTNNB1PDE4BPROKR1KDM4E
SCHEMBL4029916 0.84 BCL9 (0.47) BCL9CTNNB1PDE4BPROKR1KDM4E
SCHEMBL4029946 0.84 BCL9 (0.63) BCL9CTNNB1PDE4BPROKR1

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 8 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
CN-100439337-C Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2008-12-03 CN 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
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN 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 BCL9 2684/4885CTNNB1 2280/4885PDE4B 615/4885
US-20040157885-A1 PPAR activators PPARA, PPARG, PPARD BCL9 2684/4885CTNNB1 2280/4885PDE4B 615/4885

“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.