SCHEMBL4840294

SCHEMBL4840294

O=C(NC1CCN(Cc2ccccc2)CC1)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1C(=O)CO

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.51
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
DPP7 Q9UHL4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CCR1 P32246 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CCR4 P51679 1/20 0.38
SLC6A12 P48065 1/20 0.38
TSHR P16473 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD4 P21917 2/20 0.37
KDM4E B2RXH2 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KMT2A Q03164 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
SCHEMBL3910290 0.93 CACNA1B (0.53) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
SCHEMBL7036760 0.92 CACNA1B (0.54) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
SCHEMBL4843263 0.91 CACNA1B (0.52) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
SCHEMBL6401763 0.91 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
Hydrochloric Acid SCHEMBL5113432 0.91 CACNA1B (0.54) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
SCHEMBL4845662 0.91 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
SCHEMBL6394903 0.91 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
SCHEMBL6398427 0.91 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
SCHEMBL6398419 0.91 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1
SCHEMBL6394904 0.91 CACNA1B (0.51) CACNA1BCYP2C19SMN1; SMN2DPP7ALDH1A1

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.