SCHEMBL5118086

SCHEMBL5118086

COc1ccc(CN2CCC(CNC(=S)[C@@H](CCC3CCCCC3)NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.49
ACHE P22303 4/20 0.47
FAAH O00519 2/20 0.47
BCHE P06276 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MCHR1 Q99705 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NEK1 Q96PY6 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5118173 0.91 ACHE (0.46) ACHEBCHEMAOAMAOBMCHR1
SCHEMBL5118828 0.91 ACHE (0.54) ACHEFAAHBCHEMAOAMAOB
SCHEMBL5123707 0.89 CACNA1B (0.50) CACNA1BACHEBCHEALDH1A1LMNA
SCHEMBL5118005 0.85 ACHE (0.42) CACNA1BACHEFAAHBCHEALDH1A1
SCHEMBL5118083 0.83 CACNA1B (0.51) CACNA1BACHEFAAHBCHEALDH1A1
SCHEMBL7040729 0.82 ACHE (0.43) ACHEFAAHBCHEMAOAMAOB
SCHEMBL29725623 0.82 ACHE (0.61) ACHEFAAHBCHEMAOAMAOB
Hydrochloric Acid SCHEMBL5147970 0.81 ACHE (0.42) ACHEFAAHBCHEMAOAMAOB
SCHEMBL5116831 0.80 CHRM2 (0.46) CACNA1BACHEBCHEALDH1A1MCHR1
SCHEMBL5118772 0.80 SIGMAR1 (0.45) ACHEBCHEMCHR1

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
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 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 (1 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CACNA1B 3/4885ACHE 165/4885FAAH 1020/4885

“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.