SCHEMBL5117010

SCHEMBL5117010

O=C(N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1)[C@@H]1CSCN1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
PRKAA2 P54646 2/20 0.37
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL5117548 0.90 EPHX2 (0.47) EPHX2ALDH1A1KMT2AMEN1POLB
SCHEMBL5117676 0.88 SIGMAR1 (0.41) PRKAA2
SCHEMBL5351757 0.83 CACNA1B (0.35) KDM4EL3MBTL1
SCHEMBL5756825 0.83 CACNA1B (0.40) EPHX2ALDH1A1LMNADRD3DRD2
SCHEMBL5117012 0.82 EPHX2 (0.46) EPHX2ALDH1A1LMNADRD3DRD2
SCHEMBL4835605 0.81 CYP2C19 (0.48) ALDH1A1DRD3DRD2DRD4KMT2A
Hydrochloric Acid SCHEMBL5141136 0.81 CYP2C19 (0.47) ALDH1A1DRD3DRD2DRD4KMT2A
SCHEMBL5114271 0.79 EPHX2 (0.46) EPHX2ALDH1A1LMNADRD3DRD2
SCHEMBL5117829 0.79 CACNA1B (0.47) EPHX2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7039411 0.78 CACNA1B (0.44) ALDH1A1DRD4

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 EPHX2 2908/4885ALDH1A1 3281/4885LMNA 1043/4885

“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.