SCHEMBL4842747

SCHEMBL4842747

C=CCOC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.43
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
TGM2 P21980 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM4 P08173 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCR4 P51679 1/20 0.36
CACNA1G O43497 1/20 0.36

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 SCHEMBL4844950 0.99 CACNA1B (0.43) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
SCHEMBL6397112 0.92 CACNA1B (0.43) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
Hydrochloric Acid SCHEMBL4842980 0.91 CACNA1B (0.42) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
SCHEMBL5117573 0.91 TSHR (0.45) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
SCHEMBL5110989 0.90 CACNA1B (0.52) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
SCHEMBL7039299 0.90 CYP2C19 (0.44) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
SCHEMBL7768821 0.90 TSHR (0.43) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
Hydrochloric Acid SCHEMBL7205371 0.89 SMN1; SMN2 (0.44) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
Hydrochloric Acid SCHEMBL4845385 0.89 TSHR (0.43) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7
SCHEMBL4564775 0.89 CYP2C19 (0.44) CACNA1BTSHRCYP2C19SMN1; SMN2DPP7

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-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US claimed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 EP claimed
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CACNA1B 2/4885TSHR 4794/4885CYP2C19 3373/4885

“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.