SCHEMBL5167586

SCHEMBL5167586

COc1cccc(COCCC#Cc2ccc(CCC(C)(N)CO)s2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
CHRM3 P20309 4/20 0.36
TAAR1 Q96RJ0 1/20 0.34
MAOB P27338 3/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
DPP4 P27487 1/20 0.32
ATM Q13315 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
AOC3 Q16853 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL5167652 0.89 IDO1 (0.34) IDO1CHRM3DPP4
SCHEMBL5166257 0.89 HDAC4 (0.37) IDO1AGXTCHRM3DPP4ATM
SCHEMBL5165212 0.88 CHRM3 (0.34) IDO1AGXTCHRM3MAOBDPP4
SCHEMBL5167164 0.88 LMNA (0.40) LMNACHRM3TAAR1GRM2GRM3
SCHEMBL386246 0.87 KDM4E (0.38) DPP4
SCHEMBL385539 0.87 S1PR1 (0.39) LMNAIDO1AGXTCHRM3GRM2
SCHEMBL5166351 0.87 NPSR1 (0.36) LMNADPP4ATM
SCHEMBL5169657 0.86 IDO1 (0.37) IDO1TAAR1MAOBDPP4
SCHEMBL5167878 0.84 DPP4 (0.34) DPP4
SCHEMBL5166936 0.84 DPP4 (0.35) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A LMNA 3703/4885IDO1 59/4885AGXT 511/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A LMNA 3703/4885IDO1 59/4885AGXT 511/4885

“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.