SCHEMBL5113170

SCHEMBL5113170

CC(C)(C)OC(=O)N1[CH]CSC1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
CACNA1B Q00975 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL7202408 1.00 MAPK1 (0.40) MAPK1KMT2AALDH1A1MEN1HRH2
SCHEMBL5117632 0.90 CACNA1B (0.40) MAPK1KMT2AALDH1A1MEN1CACNA1B
SCHEMBL5344716 0.90 ALDH1A1 (0.41) MAPK1KMT2AALDH1A1MEN1CACNA1B
SCHEMBL7043953 0.89 MAPK1 (0.41) MAPK1KMT2AALDH1A1MEN1CACNA1B
SCHEMBL5124716 0.89 MAPK1 (0.37) MAPK1KMT2AALDH1A1MEN1CACNA1B
Hydrochloric Acid SCHEMBL5123628 0.88 MAPK1 (0.41) MAPK1KMT2AALDH1A1MEN1CACNA1B
SCHEMBL5117826 0.86 ALDH1A1 (0.54) KMT2AALDH1A1MEN1KDM4ENPSR1
SCHEMBL5117954 0.84 ALDH1A1 (0.39) MAPK1KMT2AALDH1A1MEN1CACNA1B
SCHEMBL5124680 0.84 HRH2 (0.49) MAPK1KMT2AALDH1A1HRH2HRH1
SCHEMBL5112731 0.84 MAPT (0.43) KMT2AALDH1A1MEN1CACNA1BKDM4E

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
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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 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 MAPK1 1052/4885KMT2A 1244/4885ALDH1A1 3281/4885

“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.