SCHEMBL7244646

SCHEMBL7244646

CC(=O)N(CCN1CCCCC1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
EGFR P00533 2/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
HRH3 Q9Y5N1 5/20 0.47
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
LTA4H P09960 2/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL7250758 0.84 L3MBTL1 (0.58) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4283767 0.76 HRH3 (0.56) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7247645 0.75 SIGMAR1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23616321 0.75 L3MBTL1 (0.49) ALDH1A1L3MBTL1
Beloxamide SCHEMBL636320 0.75 L3MBTL1 (0.49) SMN1; SMN2ALDH1A1SIGMAR1L3MBTL1CHRM2
SCHEMBL13661448 0.73 SIGMAR1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4925218 0.73 SIGMAR1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL13661596 0.73 SIGMAR1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9434878 0.72 L3MBTL1 (0.53) ALDH1A1L3MBTL1
SCHEMBL20509030 0.72 ALDH1A1 (0.50) ALDH1A1L3MBTL1KMT2A

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-20030009030-A1 Novel selective deacetylating agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-09 US disclosed
EP-1245550-A1 NOVEL SELECTIVE DEACETYLATING AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-10-02 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-20030009030-A1 Novel selective deacetylating agents HDAC1, HDAC11, HDAC3 NPC1 877/4885RAB9A 1741/4885SMN1; SMN2 3440/4885

“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.