SCHEMBL5349620

SCHEMBL5349620

CN(C)c1ccc(CNC(=O)[C@@H](C2CCCCC2)C(NC=O)SCC2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 3/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC3 O15379 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
HPGD P15428 2/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL5356343 0.72 CTSD (0.37) RAB9ASMN1; SMN2NPC1POLBGAA
SCHEMBL5349615 0.71 CACNA1B (0.48) SMN1; SMN2POLBGAAHDAC6MAPT
SCHEMBL5356337 0.69 CACNA1B (0.46) POLBCYP3A4
SCHEMBL5352277 0.66 CACNA1B (0.48) POLBGAAHDAC1HDAC2HDAC3
SCHEMBL5350180 0.66 CACNA1B (0.45) SMN1; SMN2POLBGAAMAPTMMP1
SCHEMBL9911471 0.64 ERCC1 (0.57) RAB9ASMN1; SMN2NPC1GAAHDAC1
SCHEMBL5356355 0.64 GAA (0.35) RAB9ASMN1; SMN2NPC1POLBGAA
SCHEMBL5343453 0.62 CACNA1B (0.39) GAAHDAC1HDAC2HDAC3ALDH1A1
SCHEMBL17598430 0.62 CACNA1B (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5343448 0.62 CACNA1B (0.60) RAB9APOLBALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166590-B2 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-23 US disclosed
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 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-20030013725-A1 Amino acid derivatives CACNA1B, SCN1A, SCN2A RAB9A 2425/4885SMN1; SMN2 297/4885NPC1 534/4885

“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.