SCHEMBL5167849

SCHEMBL5167849

C[C@H](CCc1ccc(C#CCCC2CCCCC2)s1)C(N)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.35
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5167627 0.94 TRPV3 (0.30) TRPV3
SCHEMBL5168635 0.93 MAPT (0.30)
Fumaric Acid SCHEMBL5165264 0.80 DPP4 (0.36) DPP4
Maleic Acid SCHEMBL5165254 0.80 DPP4 (0.36) DPP4
SCHEMBL6309593 0.79 CEL (0.37)
SCHEMBL6303117 0.78 CYSLTR2 (0.36)
SCHEMBL5167726 0.78 CYSLTR2 (0.36)
SCHEMBL383975 0.78 TRPV3 (0.34) TRPV3DPP4
SCHEMBL5167526 0.77 GRM5 (0.38) DPP4ALDH1A1
SCHEMBL5166229 0.76 S1PR3 (0.33) TRPV3DPP4

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 TRPV3 4197/4885DPP4 4088/4885ALDH1A1 129/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TRPV3 4197/4885DPP4 4088/4885ALDH1A1 129/4885

“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.