SCHEMBL5166168

SCHEMBL5166168

Cc1ccc(OCCC#Cc2ccc(CCC(C)(N)CO)s2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
RAB9A P51151 2/20 0.32
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FKBP1A P62942 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 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
SCHEMBL383665 0.90 RAB9A (0.33) RAB9AMAPK1SMN1; SMN2ESR1TP53
SCHEMBL384062 0.89 DPP4 (0.36) DPP4SMN1; SMN2L3MBTL1
SCHEMBL5168796 0.87 KCNH2 (0.35) DPP4ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5166731 0.87 DPP4 (0.34) DPP4
SCHEMBL5168510 0.87 DPP4 (0.34) DPP4RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL5167538 0.86 DPP4 (0.36) DPP4ALDH1A1TP53MEN1KMT2A
SCHEMBL6305276 0.86 DPP4 (0.34) DPP4FKBP1ADRD3
SCHEMBL387426 0.86 S1PR1 (0.46)
SCHEMBL386338 0.85 DPP4 (0.36) DPP4RAB9A
SCHEMBL6303074 0.85 DPP4 (0.36) 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 DPP4 4088/4885RAB9A 1895/4885MAPK1 306/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A DPP4 4088/4885RAB9A 1895/4885MAPK1 306/4885

“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.