SCHEMBL5166665

SCHEMBL5166665

CC(N)(CO)CCc1ccc(C#CCOc2cccc(Cl)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.46
POLB P06746 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
WDR5 P61964 1/20 0.35
MAOB P27338 1/20 0.34
AOC3 Q16853 1/20 0.34
PKM P14618 1/20 0.34
KCNH2 Q12809 3/20 0.33
FKBP1A P62942 1/20 0.32
KDR P35968 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CASR P41180 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FFAR1 O14842 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31

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
SCHEMBL5168203 0.91 GRM5 (0.34) GRM5EGLN1KCNH2
SCHEMBL5167997 0.90 KCNH2 (0.36) GRM5POLBWDR5MAOBAOC3
SCHEMBL383997 0.89 ALOX5 (0.37) GRM5EGLN1FFAR1
SCHEMBL386989 0.89 GRM5 (0.45) GRM5EGLN1MAOBCASRKDM4E
SCHEMBL6768936 0.89 GRM5 (0.35) GRM5EGLN1KCNH2KDM4E
SCHEMBL5165262 0.88 EGLN1 (0.35) GRM5EGLN1KCNH2
SCHEMBL385420 0.87 GRM5 (0.40) GRM5EGLN1KCNH2CNR1CNR2
SCHEMBL5168915 0.87 KCNH2 (0.39) GRM5KCNH2KDRCNR1CNR2
SCHEMBL5167394 0.87 GRM5 (0.43) GRM5EGLN1KCNH2KDM4E
SCHEMBL5167592 0.86 MAOB (0.39) EGLN1MAOBAOC3PKMKDM4E

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 GRM5 982/4885POLB 2838/4885EGLN1 1053/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A GRM5 982/4885POLB 2838/4885EGLN1 1053/4885

“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.