SCHEMBL3025474

SCHEMBL3025474

NC(=O)c1ccc(OCC2CCCO2)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
NPC1 O15118 7/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
PARP15 Q460N3 4/20 0.62
PARP10 Q53GL7 4/20 0.62
PARP2 Q9UGN5 2/20 0.62
LMNA P02545 1/20 0.61
MAPT P10636 2/20 0.58
ALDH1A1 P00352 1/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL3019067 0.96 RAB9A (0.67) RAB9ANPC1SMN1; SMN2PARP15PARP10
SCHEMBL417903 0.87 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL417902 0.87 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL565748 0.87 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL13937031 0.86 RAB9A (0.65) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL30969251 0.83 TDP1 (0.57) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL2813862 0.83 RAB9A (0.66) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL16561437 0.83 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL2813859 0.83 RAB9A (0.66) RAB9ANPC1SMN1; SMN2LMNAMAPT
SCHEMBL4656658 0.83 PARP10 (0.66) RAB9ANPC1SMN1; SMN2PARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO 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-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A RAB9A 1757/4885NPC1 916/4885SMN1; SMN2 215/4885

“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.