SCHEMBL5756829

SCHEMBL5756829

O=C(N[C@H](CCC1CCCCC1)C(=S)NC1CCN(c2ccccc2)CC1)[C@@H]1CSCN1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
CHRM4 P08173 4/20 0.37
ME3 Q16798 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK14 Q16539 3/20 0.36
CCR1 P32246 2/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL4835617 0.89 CYP2C19 (0.45) DRD2DRD3SMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5141138 0.89 CYP2C19 (0.45) DRD2DRD3SMN1; SMN2ALDH1A1KMT2A
SCHEMBL5351761 0.85 MC4R (0.33) DRD2DRD3SMN1; SMN2ALDH1A1
SCHEMBL5117679 0.83 CACNA1G (0.42) CHRM4ALDH1A1
SCHEMBL5117012 0.82 EPHX2 (0.46) DRD2DRD3KDM4EALDH1A1KMT2A
SCHEMBL7039415 0.81 SIGMAR1 (0.44) SMN1; SMN2ALDH1A1
SCHEMBL5756825 0.81 CACNA1B (0.40) DRD2DRD3SMN1; SMN2ME3MAPT
Hydrochloric Acid SCHEMBL5144791 0.80 SIGMAR1 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL5117553 0.80 EPHX2 (0.48) ALDH1A1KMT2A
SCHEMBL5356917 0.80 MAPK14 (0.40) ALDH1A1MAPK14

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
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 EP claimed
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US disclosed
EP-0997147-A1 AMINO ACID DERIVATIVES Ono Pharmaceutical Co., Ltd. (JP) 2000-05-03 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A DRD2 1559/4885DRD3 1983/4885SMN1; SMN2 297/4885

“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.