SCHEMBL5167841

SCHEMBL5167841

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.39
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TAAR1 Q96RJ0 4/20 0.34
AOC3 Q16853 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
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) GRM5TAAR1GRM2GRM3HTR2B
SCHEMBL5168166 0.88 TAAR1 (0.34) GRM5TAAR1RIPK1HTR2B
SCHEMBL5168907 0.87 TNNC1 (0.32) GRM5HTR3EHTR3BHTR3AHTR3D
SCHEMBL386443 0.87 GRM5 (0.41) GRM5
SCHEMBL5166658 0.87 IGF1R (0.34) TAAR1
SCHEMBL5167164 0.86 LMNA (0.40) TAAR1AOC3GRM2GRM3HTR2B
SCHEMBL5167405 0.86 TAAR1 (0.38) TAAR1GRM2GRM3HTR2B
SCHEMBL5166840 0.86 GRM5 (0.33) GRM5
SCHEMBL5165218 0.85 CYP4F2 (0.33) GRM5
SCHEMBL385659 0.85 S1PR1 (0.39) GRM5RIPK1

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 GRM5 982/4885HTR3E 1526/4885HTR3B 1091/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A GRM5 982/4885HTR3E 1526/4885HTR3B 1091/4885

“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.