SCHEMBL4842738

SCHEMBL4842738

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.56
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TGM2 P21980 1/20 0.37
CCR1 P32246 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
CCR4 P51679 1/20 0.36
SLC6A12 P48065 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
Hydrochloric Acid SCHEMBL4844941 0.99 CACNA1B (0.55) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
SCHEMBL6397109 0.92 CACNA1B (0.58) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
Hydrochloric Acid SCHEMBL4842967 0.92 CACNA1B (0.57) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
SCHEMBL5117571 0.91 CACNA1B (0.57) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
SCHEMBL5110983 0.90 CACNA1B (0.69) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
SCHEMBL7039298 0.90 CACNA1B (0.57) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
SCHEMBL7768817 0.90 CACNA1B (0.57) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
Hydrochloric Acid SCHEMBL5123670 0.90 CACNA1B (0.56) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
SCHEMBL3910290 0.89 CACNA1B (0.53) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR
Hydrochloric Acid SCHEMBL4845373 0.89 CACNA1B (0.56) CACNA1BCYP2C19SMN1; SMN2L3MBTL1TSHR

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 8 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-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
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 2/4885CYP2C19 3373/4885SMN1; SMN2 241/4885

“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.