SCHEMBL10220114

SCHEMBL10220114

CCOC(=O)COc1ccc(CN2CCN(c3nc4ccc(Cl)cc4s3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.55
NPC1 O15118 7/20 0.54
RAB9A P51151 6/20 0.54
ACHE P22303 1/20 0.49
MAPT P10636 2/20 0.49
ADORA2A P29274 2/20 0.48
ADORA2B P29275 2/20 0.48
PPARG P37231 4/20 0.48
PPARA Q07869 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL10220118 0.92 PPARD (0.53) PPARDNPC1RAB9APPARGPPARA
SCHEMBL10220034 0.91 PPARD (0.57) PPARDNPC1RAB9AMAPTPPARG
SCHEMBL10220045 0.90 PPARD (0.65) PPARDNPC1RAB9APPARGPPARA
SCHEMBL10220048 0.90 PPARD (0.57) PPARDNPC1RAB9AMAPTPPARG
SCHEMBL10219506 0.89 PPARD (0.59) PPARDNPC1RAB9AMAPTPPARG
SCHEMBL10220042 0.89 PPARD (0.54) PPARDNPC1RAB9AACHEMAPT
SCHEMBL10220342 0.88 PPARD (0.59) PPARDNPC1RAB9AACHEMAPT
SCHEMBL10220050 0.87 PPARD (0.54) PPARDNPC1RAB9AACHEMAPT
SCHEMBL334781 0.85 PPARD (0.56) PPARDNPC1RAB9AACHEPPARG
SCHEMBL10219504 0.85 PPARD (0.55) PPARDNPC1RAB9AMAPTPPARG

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
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG PPARD 1/4885NPC1 1742/4885RAB9A 1784/4885

“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.