SCHEMBL6498034

SCHEMBL6498034

O=C(NC1CC2CC1CN2)c1ccc(-c2cccc(O)c2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.42
NPC1 O15118 5/20 0.42
ALDH1A1 P00352 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MLLT1 Q03111 4/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 1/20 0.40
S1PR4 O95977 2/20 0.39
MLLT3 P42568 1/20 0.39
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL6491662 0.88 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6499804 0.88 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6496112 0.88 SLC9A1 (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6488068 0.88 NR4A1 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6485912 0.88 ALDH1A1 (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6489856 0.88 ERCC5 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6486913 0.87 SLC9A1 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6488949 0.85 NQO2 (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6496691 0.82 MAPT (0.40) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6489862 0.82 NPC1 (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT

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 RAB9A 1437/4885NPC1 224/4885ALDH1A1 625/4885

“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.