SCHEMBL7110439

SCHEMBL7110439

CCCCOC(=O)N[C@@H](COC1CCCCC1)C(=O)NCc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CACNA1B Q00975 3/20 0.46
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
LMNA P02545 1/20 0.42
ANPEP P15144 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40

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
SCHEMBL5345015 0.85 CACNA1B (0.61) CPB2SMN1; SMN2NPC1RAB9ACACNA1B
SCHEMBL5356979 0.77 CACNA1B (0.59) CPB2SMN1; SMN2NPC1RAB9ACACNA1B
SCHEMBL528123 0.77 CA12 (0.67) SMN1; SMN2NPC1RAB9ALMNACTSL
SCHEMBL16696334 0.74 FAAH (0.56) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL5347346 0.72 CACNA1B (0.77) CPB2SMN1; SMN2NPC1RAB9ACACNA1B
SCHEMBL5351703 0.72 CACNA1B (0.78) CPB2SMN1; SMN2NPC1RAB9ACACNA1B
SCHEMBL5354917 0.72 CACNA1B (0.71) CPB2SMN1; SMN2NPC1RAB9ACACNA1B
SCHEMBL5350332 0.72 CACNA1B (0.71) CPB2SMN1; SMN2NPC1RAB9ACACNA1B
SCHEMBL5354609 0.72 ALDH1A1 (0.51) CPB2SMN1; SMN2NPC1RAB9ACACNA1B
SCHEMBL7110440 0.71 YAP1 (0.41) SMN1; SMN2NPC1RAB9ACACNA1BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013725-A1 Amino acid derivatives ONO PHARMACEUTICAL CO., LTD. 2003-01-16 US claimed

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 CPB2 3716/4885SMN1; 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.