SCHEMBL4466375

SCHEMBL4466375

Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1CCCO

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CRHBP P24387 1/20 0.45
KMT2A Q03164 1/20 0.45
CRHR2 Q13324 1/20 0.45
CTSS P25774 1/20 0.42
MAOB P27338 1/20 0.41
PPARA Q07869 6/20 0.41
PPARD Q03181 5/20 0.41
PPARG P37231 4/20 0.41
FFAR1 O14842 3/20 0.41

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
SCHEMBL968444 0.92 NPC1 (0.49) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL3370462 0.88 MAPT (0.44) NPC1ALDH1A1MAPTKDM4EPPARA
SCHEMBL5102703 0.86 MAPT (0.52) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL4902987 0.83 MAOB (0.50) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL27657151 0.83 NPC1 (0.46) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL202382 0.81 RARA (0.48) ALDH1A1GAAMAPTPPARAPPARG
SCHEMBL18015833 0.81 MAPT (0.50) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL5016720 0.81 MAPT (0.57) NPC1ALDH1A1GAAMAPTPPARA
SCHEMBL5017198 0.80 NPC1 (0.48) NPC1ALDH1A1GAAMAPTKDM4E
SCHEMBL20642197 0.80 NPC1 (0.48) NPC1ALDH1A1GAAMAPTKDM4E

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
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-7153878-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-12-26 US disclosed
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 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 (3 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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG NPC1 862/4885ALDH1A1 1181/4885GAA 2159/4885
US-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD NPC1 613/4885ALDH1A1 1311/4885GAA 3123/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD NPC1 638/4885ALDH1A1 1182/4885GAA 804/4885

“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.