SCHEMBL5168510

SCHEMBL5168510

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.34
FDPS P14324 1/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD3 P35462 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
SCHEMBL5166351 0.90 NPSR1 (0.36) DPP4RAB9AL3MBTL1LMNATDP1
SCHEMBL383997 0.90 ALOX5 (0.37)
SCHEMBL5166177 0.89 DPP4 (0.34) DPP4LMNA
SCHEMBL5167997 0.89 KCNH2 (0.36) DPP4LMNAHTTKMT2ASMN1; SMN2
SCHEMBL5167788 0.89 DPP4 (0.37) DPP4ALDH1A1
SCHEMBL384062 0.88 DPP4 (0.36) DPP4L3MBTL1MAPTSMN1; SMN2
SCHEMBL5165316 0.87 L3MBTL1 (0.38) L3MBTL1LMNAHSD17B10ALDH1A1KMT2A
SCHEMBL5168710 0.87 DPP4 (0.33) DPP4SMN1; SMN2
SCHEMBL5166168 0.87 DPP4 (0.35) DPP4RAB9AL3MBTL1TDP1DRD2
SCHEMBL5167864 0.87 MAOB (0.37) DPP4ALDH1A1KMT2ASMN1; SMN2

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 4088/4885FDPS 3898/4885RAB9A 1895/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A DPP4 4088/4885FDPS 3898/4885RAB9A 1895/4885

“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.