SCHEMBL3487680

SCHEMBL3487680

Cn1c(CO)nc2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
GRM2 Q14416 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
RHEB Q15382 1/20 0.44
PPARG P37231 6/20 0.42
GAA P10253 1/20 0.41
PCSK9 Q8NBP7 2/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
MCHR1 Q99705 1/20 0.40
ACSS2 Q9NR19 1/20 0.40

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
SCHEMBL3487370 0.84 PPARG (0.60) NPC1RAB9APPARG
SCHEMBL3487720 0.82 PPARG (0.63) PPARG
SCHEMBL3486804 0.82 PPARG (0.63) PPARG
SCHEMBL23638515 0.81 RAB9A (0.49) NPC1RAB9ARHEBPPARGACSS2
SCHEMBL3487158 0.81 PPARG (0.66) PPARG
SCHEMBL3488101 0.81 PPARG (0.64) NPC1RAB9APPARG
SCHEMBL3487019 0.81 PPARG (0.64) PPARG
SCHEMBL30698370 0.80 MAPT (0.45) NPC1RAB9ARHEBPPARG
SCHEMBL4777935 0.80 MAPT (0.45) NPC1RAB9ARHEBPPARG
SCHEMBL3488145 0.80 PPARG (0.61) PPARG

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-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-07 US disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 EP 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 (2 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-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA CYP11B1 61/4885CYP11B2 81/4885GRM2 644/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA CYP11B1 61/4885CYP11B2 81/4885GRM2 644/4885

“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.