SCHEMBL5167652

SCHEMBL5167652

Cc1cccc(COCCC#Cc2ccc(CCC(C)(N)CO)s2)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
CHRM3 P20309 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL5166936 0.91 DPP4 (0.35) DPP4
SCHEMBL5165212 0.90 CHRM3 (0.34) IDO1CHRM3DPP4
SCHEMBL386246 0.89 KDM4E (0.38) DPP4
SCHEMBL5167586 0.89 LMNA (0.39) IDO1CHRM3DPP4
SCHEMBL5165169 0.88 DPP4 (0.35) CHRM3DPP4
SCHEMBL5169657 0.88 IDO1 (0.37) IDO1DPP4
SCHEMBL5167878 0.87 DPP4 (0.34) DPP4
SCHEMBL387302 0.87 S1PR1 (0.39)
SCHEMBL5168775 0.86 GRM5 (0.35)
SCHEMBL5168510 0.84 DPP4 (0.34) 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 IDO1 59/4885CHRM3 619/4885DPP4 4088/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A IDO1 59/4885CHRM3 619/4885DPP4 4088/4885

“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.