SCHEMBL4863835

SCHEMBL4863835

COCOC1CCCN(C(=O)Nc2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR2 P34972 2/20 0.44
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 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
SCHEMBL4870912 0.83 NPC1 (0.45) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4870689 0.83 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4898349 0.79 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4867117 0.78 AVPR2 (0.56) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4871884 0.77 NPC1 (0.53) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4869477 0.76 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4865006 0.76 NPC1 (0.52) MAPTNPC1RAB9ASMN1; SMN2PKM
Hydrochloric Acid SCHEMBL4871067 0.75 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4869815 0.72 MAPT (0.43) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL4863128 0.72 MAPT (0.47) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 MAPT 3398/4885NPC1 630/4885RAB9A 4025/4885

“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.