SCHEMBL4031116

SCHEMBL4031116

Cc1ccc(C2CCCN(C(=O)OCc3ccccc3)C2)cc1N

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 9/20 0.57
CTNNB1 P35222 9/20 0.57
PDE4B Q07343 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
JAK2 O60674 2/20 0.47
JAK1 P23458 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
KDM4E B2RXH2 1/20 0.45
USP30 Q70CQ3 1/20 0.44

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
SCHEMBL4030092 0.88 BCL9 (0.58) BCL9CTNNB1PDE4BSMN1; SMN2CYP2C19
SCHEMBL6192890 0.84 BCL9 (0.47) BCL9CTNNB1PDE4BJAK2JAK1
SCHEMBL29087342 0.83 SMN1; SMN2 (0.59) BCL9CTNNB1PDE4BSMN1; SMN2CYP2C19
SCHEMBL4030607 0.82 PDE4B (0.55) BCL9CTNNB1PDE4BSMN1; SMN2NPC1
SCHEMBL4032297 0.81 BCL9 (0.51) BCL9CTNNB1PDE4BSMN1; SMN2NPC1
SCHEMBL4026987 0.80 BCL9 (0.58) BCL9CTNNB1PDE4BSMN1; SMN2NPC1
SCHEMBL31198901 0.80 PDE4B (0.54) BCL9CTNNB1PDE4BSMN1; SMN2CYP2C19
SCHEMBL4968602 0.80 PDE4B (0.55) BCL9CTNNB1PDE4BSMN1; SMN2CYP2C19
SCHEMBL4032590 0.80 BCL9 (0.51) BCL9CTNNB1PDE4BSMN1; SMN2NPC1
SCHEMBL4033227 0.79 PDE4B (0.52) BCL9CTNNB1PDE4BSMN1; SMN2NPC1

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.