SCHEMBL6497293

SCHEMBL6497293

O=C(NC1CC2CNC1C2)c1ccc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GPR55 Q9Y2T6 1/20 0.54
AKT1 P31749 1/20 0.47
PTPN1 P18031 1/20 0.46
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPKAPK2 P49137 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
SCN5A Q14524 2/20 0.43
SCN2A Q99250 2/20 0.43
SCN10A Q9Y5Y9 2/20 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
SCHEMBL6500809 0.90 NPC1 (0.43) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6500583 0.89 NPC1 (0.42) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6489260 0.89 ALDH1A1 (0.49) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6501627 0.89 MMP13 (0.43) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6488167 0.88 S1PR4 (0.43) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6487729 0.87 ALDH1A1 (0.57) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6500577 0.87 MAPKAPK2 (0.45) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6496009 0.85 MEN1 (0.49) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6498810 0.83 CHRNB2 (0.46) NPC1RAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL6490768 0.82 MAPKAPK2 (0.41) NPC1RAB9AL3MBTL1ALDH1A1HPGD

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
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 NPC1 224/4885RAB9A 1437/4885L3MBTL1 2531/4885

“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.