SCHEMBL5168166

SCHEMBL5168166

CC(N)(CO)CCc1ccc(C#CCCCc2cccc(F)c2)s1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.34
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GLS O94925 1/20 0.33
ALOX5 P09917 1/20 0.32
GRM5 P41594 1/20 0.32
RIPK1 Q13546 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL5168775 0.89 GRM5 (0.35) TAAR1GRM5HTR2B
SCHEMBL5167405 0.88 TAAR1 (0.38) TAAR1DRD2SLC6A4SLC6A3HTR2B
SCHEMBL5167841 0.88 GRM5 (0.39) TAAR1GRM5RIPK1HTR2B
SCHEMBL385990 0.87 ALOX5 (0.41) ALOX5
SCHEMBL386443 0.87 GRM5 (0.41) GRM5
SCHEMBL5168897 0.87 ALOX5 (0.33) ALOX5
SCHEMBL5165212 0.86 CHRM3 (0.34) ALOX5
SCHEMBL5166840 0.86 GRM5 (0.33) GRM5
SCHEMBL5167164 0.86 LMNA (0.40) TAAR1HTR2B
SCHEMBL5165218 0.85 CYP4F2 (0.33) 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 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 TAAR1 32/4885DRD2 97/4885SLC6A4 2149/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TAAR1 32/4885DRD2 97/4885SLC6A4 2149/4885

“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.