SCHEMBL5166351

SCHEMBL5166351

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 3/20 0.35
TSHR P16473 3/20 0.35
MAPK1 P28482 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GRM5 P41594 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DPP4 P27487 1/20 0.34
ATM Q13315 1/20 0.34
CASR P41180 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL6303074 0.93 DPP4 (0.36) LMNADPP4
SCHEMBL5168510 0.90 DPP4 (0.34) NPSR1LMNAALDH1A1DPP4TDP1
SCHEMBL386989 0.90 GRM5 (0.45) NPSR1LMNATSHRMAPK1ALDH1A1
SCHEMBL5167538 0.90 DPP4 (0.36) ALDH1A1DPP4ATMMAPTKDM4E
SCHEMBL5166177 0.89 DPP4 (0.34) LMNADPP4
SCHEMBL5167997 0.89 KCNH2 (0.36) LMNAMAPK1GRM5DPP4CASR
SCHEMBL5167788 0.89 DPP4 (0.37) ALDH1A1DPP4
SCHEMBL5165316 0.87 L3MBTL1 (0.38) LMNAALDH1A1L3MBTL1KDM4E
SCHEMBL5168710 0.87 DPP4 (0.33) DPP4SMN1; SMN2
SCHEMBL6305276 0.87 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 NPSR1 1283/4885LMNA 3703/4885TSHR 1187/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A NPSR1 1283/4885LMNA 3703/4885TSHR 1187/4885

“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.