SCHEMBL5169548

SCHEMBL5169548

CC(N)(CO)CCc1ccc(C#CCCOc2ccc(Cl)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARA Q07869 3/20 0.33
S1PR1 P21453 6/20 0.32
S1PR4 O95977 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR5 Q9H228 4/20 0.32
PPARD Q03181 2/20 0.31
PPARG P37231 1/20 0.31
FDPS P14324 2/20 0.31
KCNH2 Q12809 1/20 0.30
GRM5 P41594 1/20 0.30

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
SCHEMBL5166253 0.91 DPP4 (0.35) DPP4
SCHEMBL5167538 0.90 DPP4 (0.36) DPP4MEN1KMT2APPARAS1PR1
SCHEMBL384062 0.90 DPP4 (0.36) DPP4PPARAS1PR1S1PR4S1PR3
SCHEMBL386338 0.89 DPP4 (0.36) DPP4S1PR1S1PR4S1PR3S1PR5
SCHEMBL5167788 0.89 DPP4 (0.37) DPP4PPARAS1PR1S1PR4S1PR3
SCHEMBL385420 0.89 GRM5 (0.40) MEN1KMT2AKCNH2GRM5
SCHEMBL5168796 0.89 KCNH2 (0.35) DPP4MEN1KMT2AKCNH2GRM5
SCHEMBL5167997 0.88 KCNH2 (0.36) DPP4KMT2APPARDPPARGKCNH2
SCHEMBL5168257 0.88 PPARA (0.35) DPP4MEN1KMT2APPARAS1PR1
SCHEMBL5168801 0.88 DPP4 (0.35) DPP4S1PR1S1PR4S1PR3S1PR5

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 DPP4 4088/4885MEN1 1906/4885KMT2A 1760/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A DPP4 4088/4885MEN1 1906/4885KMT2A 1760/4885

“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.