SCHEMBL4628698

SCHEMBL4628698

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

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.54
P2RX2 Q9UBL9 4/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
P2RX4 Q99571 4/20 0.47
P2RX5 Q93086 2/20 0.47
CNR2 P34972 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
STS P08842 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
SCHEMBL4629443 0.82 P2RX7 (0.53) P2RX7P2RX2MEN1KMT2AP2RX4
SCHEMBL4628704 0.73 MEN1 (0.49) P2RX7P2RX2MEN1KMT2AP2RX4
SCHEMBL4629426 0.73 EPHX2 (0.69) P2RX2CNR2CA9EPHX2SMN1; SMN2
SCHEMBL11741838 0.72 SMN1; SMN2 (0.71) P2RX7P2RX2P2RX4CNR2CA12
SCHEMBL12745466 0.72 CYP17A1 (0.44) MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL4983445 0.72 NPC1 (0.53) MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL25174574 0.70 P2RX7 (1.00) P2RX7P2RX2P2RX4P2RX5ALDH1A1
SCHEMBL7707848 0.70 CNR2 (0.65) P2RX7P2RX2CNR2CA12CA9
SCHEMBL3324612 0.70 ALDH1A1 (0.70) P2RX7P2RX2CNR2CA12CA9
SCHEMBL9667240 0.70 KIF11 (0.53) MEN1KMT2AEPHX2SMN1; 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 9 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
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA P2RX7 1894/4885P2RX2 1856/4885MEN1 1819/4885

“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.