SCHEMBL5168907

SCHEMBL5168907

CC(N)(CO)CCc1ccc(C#CCCCc2ccc(Cl)cc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.32
S1PR1 P21453 2/20 0.32
SGPL1 O95470 1/20 0.32
S1PR4 O95977 1/20 0.32
GPR183 P32249 1/20 0.32
CERS2 Q96G23 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HRH1 P35367 1/20 0.32
HTR2B P41595 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 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 0.90 GRM5 (0.33) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL385990 0.89 ALOX5 (0.41) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL386443 0.89 GRM5 (0.41) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL5166658 0.88 IGF1R (0.34) ALDH1A1
SCHEMBL5167841 0.87 GRM5 (0.39) HTR2BHTR3EHTR3BHTR3AHTR3D
SCHEMBL386263 0.87 CALM1 (0.36) ALOX5SPHK2
Hydrochloric Acid SCHEMBL5166830 0.86 CALM1 (0.36) S1PR1ALOX5SPHK2
SCHEMBL5168897 0.86 ALOX5 (0.33) S1PR1ALOX5
SCHEMBL5165331 0.86 HSD17B10 (0.37) TNNC1S1PR1SGPL1S1PR4GPR183
SCHEMBL5165338 0.85 GRM5 (0.38) TNNC1S1PR1SGPL1S1PR4GPR183

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 TNNC1 4829/4885S1PR1 1542/4885SGPL1 1262/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TNNC1 4829/4885S1PR1 1542/4885SGPL1 1262/4885

“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.