SCHEMBL3268946

SCHEMBL3268946

NC(=O)COC(=O)NCCC1CCN(c2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.53
PPARD Q03181 6/20 0.53
PPARA Q07869 5/20 0.53
NPC1 O15118 8/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.46
CNR2 P34972 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
SCHEMBL3269267 0.91 PPARG (0.51) PPARGPPARDPPARANPC1RAB9A
SCHEMBL3270585 0.87 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL1729140 0.85 PPARG (0.60) PPARGPPARDPPARANPC1RAB9A
SCHEMBL239896 0.82 HRH3 (0.46)
SCHEMBL3268726 0.81 HRH3 (0.45)
SCHEMBL3265540 0.79 MAPT (0.55) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3265729 0.78 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL334455 0.77 NPC1 (0.62) PPARGPPARDPPARANPC1RAB9A
SCHEMBL3266256 0.76 DEGS1 (0.48) MAPT
SCHEMBL335645 0.76 NPC1 (0.64) PPARGPPARDPPARANPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 PPARG 1053/4885PPARD 2333/4885PPARA 1093/4885

“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.