SCHEMBL5116757

SCHEMBL5116757

CC(C)(C)OC(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
TGM2 P21980 2/20 0.40
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
CACNA1B Q00975 2/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MEN1 O00255 1/20 0.37
MC4R P32245 1/20 0.37
CALCRL Q16602 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14591438 0.91 KMT2A (0.45) TGM2HRH2HRH1CACNA1BKMT2A
SCHEMBL5114306 0.89 CACNA1B (0.50) CACNA1BKMT2ACTSSCTSKALDH1A1
SCHEMBL5113478 0.85 ALDH1A1 (0.54) TGM2KMT2AALDH1A1LMNAMEN1
SCHEMBL5117954 0.84 ALDH1A1 (0.39) CYP3A4TGM2CACNA1BKMT2AMAPK1
SCHEMBL5117950 0.84 CACNA1B (0.46) CYP3A4CACNA1BKMT2AMAPK1ALDH1A1
SCHEMBL5123027 0.81 NPSR1 (0.45) HRH2HRH1KMT2AMAPK1LMNA
SCHEMBL5113641 0.81 KMT2A (0.46) CYP3A4HRH2HRH1CACNA1BKMT2A
SCHEMBL5124680 0.81 HRH2 (0.49) CYP3A4HRH2HRH1KMT2AMAPK1
SCHEMBL3961969 0.79 HRH2 (0.57) TGM2HRH2HRH1KMT2AMAPK1
SCHEMBL3961973 0.79 HRH2 (0.57) TGM2HRH2HRH1KMT2AMAPK1

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 7 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-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

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 CYP3A4 4497/4885TGM2 1122/4885HRH2 1011/4885

“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.