SCHEMBL6309593

SCHEMBL6309593

C[C@H](CCc1ccc(CCCCC2CCCCC2)s1)C(N)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.37
MAPT P10636 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
MCL1 Q07820 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
SCHEMBL6303117 0.99 CYSLTR2 (0.36) CELMAPTCYSLTR2CYSLTR1SIGMAR1
SCHEMBL5167726 0.99 CYSLTR2 (0.36) CELMAPTCYSLTR2CYSLTR1SIGMAR1
SCHEMBL5168523 0.84 POLB (0.37) MAPTCYSLTR2CYSLTR1
SCHEMBL5168436 0.84 TDP1 (0.39) CYSLTR2CYSLTR1
SCHEMBL5168635 0.84 MAPT (0.30) MAPT
SCHEMBL5168772 0.83 POLB (0.36)
SCHEMBL5167627 0.82 TRPV3 (0.30)
SCHEMBL5167849 0.79 TRPV3 (0.35)
Fumaric Acid SCHEMBL6303094 0.75 LNPEP (0.33)
SCHEMBL385547 0.74 CEL (0.39) CELCYSLTR2CYSLTR1SIGMAR1GPR84

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CEL 864/4885MAPT 4611/4885CYSLTR2 1498/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A CEL 864/4885MAPT 4611/4885CYSLTR2 1498/4885

“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.