SCHEMBL5167372

SCHEMBL5167372

C[C@H](CCc1ccc(C#CCCCc2ccccc2)s1)C(N)O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.40
PTGER4 P35408 2/20 0.37
FAAH O00519 1/20 0.34
PTGER2 P43116 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
Oxalic Acid SCHEMBL5168940 0.96 PTGER4 (0.38) GRM5PTGER4FAAHPTGER2
SCHEMBL5167526 0.93 GRM5 (0.38) GRM5PTGER4PTGER2
Oxalic Acid SCHEMBL5168183 0.89 PTGER4 (0.38) GRM5PTGER4FAAHPTGER2
SCHEMBL5168825 0.79 PTGER4 (0.34) GRM5PTGER4
SCHEMBL5168835 0.79 PTGER4 (0.34) GRM5PTGER4
SCHEMBL5168635 0.78 MAPT (0.30)
Oxalic Acid SCHEMBL6305327 0.76 FAAH (0.44) PTGER4FAAHPTGER2S1PR2S1PR4
SCHEMBL386443 0.76 GRM5 (0.41) GRM5S1PR4S1PR1S1PR3
Oxalic Acid SCHEMBL5165531 0.74 FAAH (0.41) PTGER4FAAHPTGER2S1PR2S1PR4
SCHEMBL5165338 0.73 GRM5 (0.38) GRM5S1PR4S1PR1S1PR3

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 982/4885PTGER4 756/4885FAAH 1462/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A GRM5 982/4885PTGER4 756/4885FAAH 1462/4885

“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.