SCHEMBL4688975

SCHEMBL4688975

CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nn1CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
POLB P06746 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
FAAH O00519 3/20 0.56
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 5/20 0.46
LMNA P02545 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 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
SCHEMBL718675 0.89 SMN1; SMN2 (0.57) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4693223 0.87 PPARG (0.55) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4692575 0.87 PPARG (0.56) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL14144797 0.86 SMN1; SMN2 (0.81) SMN1; SMN2POLBTDP1MAPTRAB9A
SCHEMBL4692482 0.86 MAPT (0.56) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4691443 0.84 POLB (0.58) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL4688300 0.84 SMN1; SMN2 (0.64) SMN1; SMN2POLBTDP1MAPTRAB9A
SCHEMBL4692309 0.84 PPARG (0.54) SMN1; SMN2POLBTDP1MAPTRAB9A
SCHEMBL6335193 0.84 SMN1; SMN2 (0.79) SMN1; SMN2POLBTDP1FAAHMAPT
SCHEMBL718990 0.83 FAAH (0.59) SMN1; SMN2POLBTDP1FAAHMAPT

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
EP-1685113-B1 SUBSTITUTED PYRAZOLES AS PPAR AGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-30 EP disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US disclosed
US-20080021030-A1 Substituted Pyrazoles As Ppar Agonists SMITHKLINE BEECHAM CORPORATION 2008-01-24 US 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-20080021030-A1 Substituted Pyrazoles As Ppar Agonists PPARD, PPARA, PPARG SMN1; SMN2 3739/4885POLB 1542/4885TDP1 3082/4885

“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.