SCHEMBL4559943

SCHEMBL4559943

CC(C)c1ccc(NC(=O)N2CCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.75
RAB9A P51151 4/20 0.75
CNR2 P34972 1/20 0.67
PANK3 Q9H999 11/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
MAPT P10636 3/20 0.63
TP53 P04637 2/20 0.63
ALDH1A1 P00352 1/20 0.63
THRB P10828 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 3/20 0.62
MEN1 O00255 1/20 0.61
FAAH O00519 1/20 0.59
TRPV1 Q8NER1 1/20 0.59

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
SCHEMBL104337 0.97 RAB9A (0.75) NPC1RAB9ACNR2PANK3SMN1; SMN2
SCHEMBL10253430 0.89 CNR2 (0.63) NPC1RAB9ACNR2PANK3SMN1; SMN2
SCHEMBL104605 0.87 NPC1 (0.71) NPC1RAB9APANK3SMN1; SMN2MAPT
SCHEMBL6764523 0.87 NPC1 (0.71) NPC1RAB9APANK3SMN1; SMN2MAPT
SCHEMBL10253152 0.87 NPC1 (0.63) NPC1RAB9ACNR2PANK3SMN1; SMN2
SCHEMBL10253029 0.87 SMN1; SMN2 (0.66) NPC1RAB9ACNR2PANK3SMN1; SMN2
SCHEMBL104586 0.86 RAB9A (1.00) NPC1RAB9APANK3SMN1; SMN2MAPT
SCHEMBL14597010 0.86 NPC1 (0.69) NPC1RAB9APANK3SMN1; SMN2MAPT
SCHEMBL10253135 0.85 MAPT (0.71) NPC1RAB9ACNR2PANK3SMN1; SMN2
SCHEMBL10253053 0.85 CNR2 (0.71) NPC1RAB9ACNR2PANK3SMN1; SMN2

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B NPC1 3876/4885RAB9A 1318/4885CNR2 3362/4885

“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.