SCHEMBL5168147

SCHEMBL5168147

CC(N)(CO)CCc1ccc(C#CCc2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
S1PR1 P21453 1/20 0.33
MAOB P27338 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
IDO1 P14902 2/20 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
SCHEMBL5168669 0.91 TAAR1 (0.35) ALOX5TAAR1S1PR1MAOB
SCHEMBL5167036 0.87 IDO1 (0.34) ALOX5S1PR1MAOBIDO1
SCHEMBL6768055 0.87 ALOX5 (0.33) ALOX5
SCHEMBL5167278 0.85 DPP4 (0.34) ALOX5MAOBIDO1
SCHEMBL5168257 0.83 PPARA (0.35) S1PR1MAOBALDH1A1
SCHEMBL5168058 0.81 TACR1 (0.31)
SCHEMBL5168802 0.79 GRM5 (0.33)
SCHEMBL5168931 0.79 ALOX5 (0.42) ALOX5S1PR1
SCHEMBL5167405 0.79 TAAR1 (0.38) TAAR1GAAIDO1
SCHEMBL5166882 0.79 ATM (0.37) ALDH1A1GAA

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 ALOX5 1064/4885TAAR1 32/4885S1PR1 1542/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A ALOX5 1064/4885TAAR1 32/4885S1PR1 1542/4885

“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.