SCHEMBL6865007

SCHEMBL6865007

CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)ccc2CO)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CNR1 P21554 4/20 0.53
STS P08842 5/20 0.48
MAPK8 P45983 1/20 0.47
BRD4 O60885 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 1/20 0.45
CACNB4 O00305 1/20 0.44
CACNA1A O00555 1/20 0.44

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
SCHEMBL3379625 0.91 ALDH1A1 (0.54) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL4712469 0.87 ALDH1A1 (0.52) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL4716931 0.85 ALDH1A1 (0.57) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL4635461 0.84 ALDH1A1 (0.56) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL6249997 0.84 ALDH1A1 (0.56) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL4713688 0.84 ALDH1A1 (0.53) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL5121483 0.83 ALDH1A1 (0.57) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL31282736 0.83 ALDH1A1 (0.57) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL25390329 0.82 USP30 (0.59) ALDH1A1HTTNPC1MAPTMAPK1
SCHEMBL22521596 0.82 ALDH1A1 (0.56) ALDH1A1HTTNPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1304382-C Novel P2X for use in the treatment of inflammatory, immune or cardiovascular diseases7Receptor antagonists ASTRAZENECA AB (SE) 2007-03-14 CN disclosed
US-6812226-B2 FOR THERAPY OF RHEUMATOID ARTHRITIS, EFFECTING IMMUNOSUPPRESSION ASTRAZENECA AB (SE) 2004-11-02 US disclosed
EP-1242396-B1 NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2003-09-24 EP disclosed
CN-1434811-A Novel P2X for use in the treatment of inflammatory, immune or cardiovascular diseases7Receptor antagonists ASTRAZENECA AB (SE) 2003-08-06 CN disclosed
US-20030040513-A1 P2x7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular diseases ASTRAZENECA AB (SE) 2003-02-27 US disclosed
EP-1242396-A1 NEW P2X 7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES AstraZeneca AB (SE) 2002-09-25 EP disclosed
WO-2001044213-A1 NEW P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2001-06-21 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-20030040513-A1 P2x7 receptor antagonists for use in the treatment of inflammatory, immune or cardiovascular diseases P2RX1, P2RX2, P2RX3 ALDH1A1 2046/4885HTT 4031/4885NPC1 1738/4885

“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.