SCHEMBL5111005

SCHEMBL5111005

CC(C)(C)OC(=O)N1COC[C@H]1C(=O)N[C@@H](COCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.42
REN P00797 1/20 0.40
TSHR P16473 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR4 P51679 1/20 0.38

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
SCHEMBL5123884 0.89 CYP2C19 (0.49) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN
SCHEMBL5118674 0.89 CYP2C19 (0.47) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN
Hydrochloric Acid SCHEMBL5109383 0.88 CYP2C19 (0.46) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN
Bromide SCHEMBL5110893 0.88 CYP2C19 (0.46) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN
Fumaric Acid SCHEMBL7039039 0.86 CYP2C19 (0.44) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN
SCHEMBL5123888 0.86 CYP2C19 (0.46) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN
SCHEMBL5124803 0.84 CYP2C19 (0.51) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1DPP7
SCHEMBL5110947 0.83 CYP2C19 (0.46) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN
SCHEMBL5110952 0.79 CYP2C19 (0.44) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN
SCHEMBL7204463 0.79 CYP2C19 (0.49) CYP2C19SMN1; SMN2L3MBTL1ALDH1A1REN

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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
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 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 CYP2C19 3106/4885SMN1; SMN2 172/4885L3MBTL1 2759/4885

“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.