SCHEMBL6497808

SCHEMBL6497808

O=C(NC1CC2CC1CN2)c1ccc(-c2ccccc2Cl)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPT P10636 4/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 7/20 0.54
LMNA P02545 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 5/20 0.54
HTT P42858 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPK1 P28482 3/20 0.52
CASP3 P42574 3/20 0.52
SENP7 Q9BQF6 3/20 0.52
RECQL P46063 1/20 0.52
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
ERCC5 P28715 1/20 0.48
FEN1 P39748 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
SCHEMBL6498429 0.88 RAB9A (0.40) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL6498308 0.87 RAB9A (0.53) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL6488977 0.87 ALDH1A1 (0.53) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL6486675 0.87 SLC9A1 (0.44) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL6497797 0.85 ALDH1A1 (0.51) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL6489856 0.84 ERCC5 (0.45) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL6489862 0.83 NPC1 (0.56) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL6488018 0.83 ALDH1A1 (0.48) ALDH1A1MAPTHPGDRAB9ALMNA
SCHEMBL6488105 0.82 CHRNB2 (0.46) ALDH1A1HPGDRAB9ANPC1MEN1
SCHEMBL6500763 0.82 HDAC1 (0.51) ALDH1A1MAPTHPGDRAB9ALMNA

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 4 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
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 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-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 ALDH1A1 625/4885MAPT 4385/4885HPGD 706/4885

“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.