SCHEMBL5168534

SCHEMBL5168534

Cc1ccc(CCC#Cc2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.32
KCNH2 Q12809 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
GRM5 P41594 1/20 0.30
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30
DPP4 P27487 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
SCHEMBL5165564 0.93 GRM5 (0.33) ALOX5GRM5S1PR1S1PR3
SCHEMBL5167465 0.91 S1PR1 (0.34) ALOX5TAAR1S1PR1S1PR3DPP4
SCHEMBL6768055 0.90 ALOX5 (0.33) ALOX5
SCHEMBL5168931 0.89 ALOX5 (0.42) ALOX5S1PR1
SCHEMBL385900 0.89 GRM5 (0.39) ALOX5TAAR1GRM5S1PR1DPP4
SCHEMBL5168669 0.87 TAAR1 (0.35) ALOX5TAAR1S1PR1S1PR3
SCHEMBL5165351 0.87 HTT (0.34) ALOX5
SCHEMBL5166740 0.87 TAAR1 (0.35) TAAR1S1PR1S1PR3
SCHEMBL5165169 0.87 DPP4 (0.35) S1PR1S1PR3DPP4
SCHEMBL5168144 0.85 S1PR1 (0.36) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US 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 ALOX5 1064/4885KCNH2 2048/4885CYP1A2 450/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A ALOX5 1064/4885KCNH2 2048/4885CYP1A2 450/4885

“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.