SCHEMBL4694868

SCHEMBL4694868

CCOC(=O)c1cc(-c2ccc(C(C)C)cc2)nn1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.55
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
PHGDH O43175 8/20 0.49
PPARG P37231 1/20 0.49
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 3/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL5022767 0.87 TSHR (0.58) FAAHPOLBSMN1; SMN2TDP1MAPT
SCHEMBL4692437 0.85 FAAH (0.58) FAAHPOLBSMN1; SMN2TDP1MAPT
SCHEMBL4692229 0.85 FAAH (0.53) FAAHPOLBSMN1; SMN2TDP1PHGDH
SCHEMBL2562448 0.85 FAAH (0.53) FAAHPOLBSMN1; SMN2TDP1PHGDH
SCHEMBL4689595 0.84 MAPT (0.58) FAAHPOLBSMN1; SMN2TDP1MAPT
SCHEMBL5340156 0.84 FAAH (0.57) FAAHPOLBSMN1; SMN2TDP1PHGDH
SCHEMBL3664984 0.84 SMN1; SMN2 (0.68) FAAHPOLBSMN1; SMN2TDP1PHGDH
SCHEMBL4692400 0.83 MAPT (0.66) FAAHPOLBSMN1; SMN2TDP1PHGDH
SCHEMBL4692482 0.82 MAPT (0.56) FAAHPOLBSMN1; SMN2TDP1PHGDH
SCHEMBL4685138 0.81 FAAH (0.54) FAAHPOLBSMN1; SMN2TDP1MAPT

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 5 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
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 FAAH 274/4885POLB 1542/4885SMN1; SMN2 3739/4885

“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.