SCHEMBL6489595

SCHEMBL6489595

Cc1ccc(-c2ccc(C(=O)NC3CC4CC3CN4)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
POLB P06746 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PDE4B Q07343 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 1/20 0.40
HPGD P15428 4/20 0.40
PDE4D Q08499 1/20 0.39
S1PR4 O95977 1/20 0.39

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
SCHEMBL6485912 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6489856 0.90 ERCC5 (0.45) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6499881 0.89 MAPKAPK2 (0.45) MMP13ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6502351 0.89 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6486556 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6489862 0.89 NPC1 (0.56) ALDH1A1KDM4EMAPTPOLBNPC1
SCHEMBL6496112 0.88 SLC9A1 (0.46) MMP13ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6490649 0.87 MEN1 (0.49) MMP13ALDH1A1KDM4EKMT2AMEN1
SCHEMBL6488977 0.83 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6494474 0.83 HPGD (0.50) ALDH1A1KMT2APOLBL3MBTL1HPGD

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 MMP13 4148/4885ALDH1A1 625/4885KDM4E 2799/4885

“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.