SCHEMBL7036760

SCHEMBL7036760

CC(C)CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CSCC1CCCCC1)C(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.42
DPP7 Q9UHL4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR4 P51679 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CCR1 P32246 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
Hydrochloric Acid SCHEMBL5113432 0.99 CACNA1B (0.54) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
SCHEMBL4840294 0.92 CACNA1B (0.51) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
SCHEMBL7042186 0.91 CACNA1B (0.54) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
SCHEMBL3910290 0.91 CACNA1B (0.53) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
SCHEMBL6401763 0.91 CACNA1B (0.51) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
SCHEMBL4843263 0.91 CACNA1B (0.52) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
SCHEMBL4845662 0.91 CACNA1B (0.51) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
Hydrochloric Acid SCHEMBL5116983 0.91 CACNA1B (0.53) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
SCHEMBL4846325 0.90 CACNA1B (0.50) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7
Hydrochloric Acid SCHEMBL4845060 0.90 CACNA1B (0.50) CACNA1BSMN1; SMN2CYP2C19ALDH1A1DPP7

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 5 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

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 CACNA1B 3/4885SMN1; SMN2 172/4885CYP2C19 3106/4885

“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.