SCHEMBL5165564

SCHEMBL5165564

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
TNNC1 P63316 5/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR5 Q9H228 2/20 0.33
SGPL1 O95470 1/20 0.33
S1PR4 O95977 1/20 0.33
GPR183 P32249 1/20 0.33
CERS2 Q96G23 1/20 0.33
ALOX5 P09917 1/20 0.31
SPHK2 Q9NRA0 1/20 0.30
IGF1R P08069 1/20 0.30
ALOX15 P16050 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
SCHEMBL5168534 0.93 ALOX5 (0.32) GRM5S1PR1S1PR3ALOX5
SCHEMBL5168188 0.90 GRM5 (0.30) GRM5
SCHEMBL385990 0.90 ALOX5 (0.41) TNNC1S1PR1S1PR3S1PR5SGPL1
SCHEMBL5168907 0.90 TNNC1 (0.32) GRM5TNNC1S1PR1S1PR3S1PR5
SCHEMBL386443 0.90 GRM5 (0.41) GRM5TNNC1S1PR1S1PR3S1PR5
SCHEMBL6768055 0.88 ALOX5 (0.33) ALOX5
SCHEMBL386263 0.88 CALM1 (0.36) ALOX5SPHK2IGF1RALOX15
SCHEMBL5166169 0.88
Hydrochloric Acid SCHEMBL5166830 0.87 CALM1 (0.36) S1PR1ALOX5SPHK2IGF1RALOX15
SCHEMBL5168775 0.87 GRM5 (0.35) GRM5

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 GRM5 982/4885TNNC1 4829/4885S1PR1 1542/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A GRM5 982/4885TNNC1 4829/4885S1PR1 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.