SCHEMBL4629426

SCHEMBL4629426

N=C(NC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.69
CNR2 P34972 2/20 0.55
FAAH O00519 1/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LTA4H P09960 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
ENPP3 O14638 1/20 0.50
CA2 P00918 1/20 0.50
ENPP1 P22413 1/20 0.50
ENPP2 Q13822 1/20 0.50
CA9 Q16790 1/20 0.50
P2RX2 Q9UBL9 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL14086737 0.82 EPHX2 (1.00) EPHX2CNR2FAAHNPC1RAB9A
SCHEMBL4883316 0.78 EPHX2 (1.00) EPHX2CNR2FAAHNPC1RAB9A
SCHEMBL4629433 0.77 SCN2A (0.57) EPHX2CNR2FAAH
SCHEMBL4979973 0.77 MEN1 (0.69) NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL4628742 0.77 LTA4H (0.63) NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL4628689 0.77 RAB9A (0.75) NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL4870502 0.76 EPHX2 (1.00) EPHX2CNR2FAAHNPC1RAB9A
SCHEMBL4882753 0.76 EPHX2 (1.00) EPHX2CNR2FAAHNPC1RAB9A
SCHEMBL4875906 0.74 EPHX2 (0.81) EPHX2CNR2FAAHNPC1RAB9A
SCHEMBL4629443 0.73 P2RX7 (0.53) EPHX2CNR2NPC1RAB9ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA EPHX2 1809/4885CNR2 571/4885FAAH 115/4885

“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.