SCHEMBL5124728

SCHEMBL5124728

CN(C(=O)[C@H](CSCC1CCCCC1)NC(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
DRD2 P14416 3/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
ACE P12821 1/20 0.42
KCNH2 Q12809 1/20 0.42
PTPN1 P18031 1/20 0.42
CACNA1B Q00975 1/20 0.41
PPARD Q03181 2/20 0.41
CCR4 P51679 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL5118854 0.95 BCHE (0.44) BCHEACHEDRD2HTR2AHTR2C
SCHEMBL5116872 0.86 ACHE (0.44) BCHEACHEPPARGPPARAACE
SCHEMBL14210101 0.85 CYP2C19 (0.51) BCHEACHESIGMAR1PPARGPPARA
SCHEMBL5110130 0.85 CYP2C19 (0.51) BCHEACHESIGMAR1PPARGPPARA
SCHEMBL5117778 0.85 CYP2C19 (0.51) BCHEACHESIGMAR1PPARGPPARA
SCHEMBL5124066 0.85 CYP2C19 (0.51) BCHEACHESIGMAR1PPARGPPARA
SCHEMBL7043902 0.85 CACNA1B (0.51) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL5124680 0.85 HRH2 (0.49) BCHEACHEPPARGPPARAACE
SCHEMBL5118822 0.84 BCHE (0.49) BCHEACHEPPARGPPARAACE
Hydrochloric Acid SCHEMBL5109956 0.84 CACNA1B (0.50) DRD2HTR2AHTR2CHTR2BSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US claimed
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-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
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 BCHE 886/4885ACHE 165/4885DRD2 3207/4885

“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.