SCHEMBL5168915

SCHEMBL5168915

CC(N)(CO)CCc1ccc(C#CCOc2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
ALOX5 P09917 3/20 0.33
KDR P35968 2/20 0.33
PTAFR P25105 1/20 0.32
EGFR P00533 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
FFAR1 O14842 1/20 0.31
GRM5 P41594 3/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 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
SCHEMBL5168910 0.90 KDM4E (0.39) GRM5ALDH1A1KDM4E
SCHEMBL385727 0.90 GRM5 (0.40) KCNH2ALOX5GRM5ALDH1A1KDM4E
SCHEMBL5169606 0.89 ALOX5 (0.36) ALOX5GRM5
SCHEMBL5167788 0.89 DPP4 (0.37) FFAR1ALDH1A1
SCHEMBL385420 0.89 GRM5 (0.40) KCNH2CNR1CNR2GRM5ALDH1A1
SCHEMBL6768936 0.88 GRM5 (0.35) KCNH2ALOX5GRM5ALDH1A1KDM4E
SCHEMBL383997 0.88 ALOX5 (0.37) ALOX5FFAR1GRM5
SCHEMBL386989 0.88 GRM5 (0.45) GRM5ALDH1A1KDM4E
SCHEMBL385248 0.88 EGLN1 (0.35) KCNH2
SCHEMBL5165288 0.88 PPARA (0.35) ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP claimed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP claimed
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 KCNH2 2048/4885CA12 2546/4885CA1 1663/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A KCNH2 2048/4885CA12 2546/4885CA1 1663/4885

“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.