SCHEMBL4629443

SCHEMBL4629443

CC(C)c1ccc(NC(=N)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.53
P2RX4 Q99571 2/20 0.53
P2RX2 Q9UBL9 2/20 0.50
CNR2 P34972 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
CYP17A1 P05093 2/20 0.45
EPHX2 P34913 1/20 0.45
P2RX5 Q93086 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
STS P08842 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 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
SCHEMBL4628698 0.82 P2RX7 (0.54) P2RX7P2RX4P2RX2CNR2CA12
SCHEMBL4629447 0.73 SCN5A (0.52) P2RX7P2RX4P2RX2ALDH1A1CYP17A1
SCHEMBL4629426 0.73 EPHX2 (0.69) P2RX2CNR2CA9EPHX2NPC1
SCHEMBL25668893 0.73 EPHX2 (0.77) EPHX2
SCHEMBL6154563 0.72 KIF11 (0.53) CA12CA9ALDH1A1EPHX2MEN1
SCHEMBL7707848 0.70 CNR2 (0.65) P2RX7P2RX2CNR2CA12CA9
SCHEMBL3321310 0.70 CA9 (0.64) P2RX7P2RX2CNR2CA12CA9
SCHEMBL5811901 0.70 CA9 (0.68) P2RX7P2RX2CNR2CA12CA9
SCHEMBL3324612 0.70 ALDH1A1 (0.70) P2RX7P2RX2CNR2CA12CA9
SCHEMBL16514942 0.70 KIF11 (0.53) CA12CA9ALDH1A1EPHX2MEN1

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 P2RX7 1894/4885P2RX4 2333/4885P2RX2 1856/4885

“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.