SCHEMBL6489856

SCHEMBL6489856

O=C(NC1CC2CC1CN2)c1ccc(-c2ccccc2)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
S1PR4 O95977 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
PTPN1 P18031 1/20 0.42
PTPN11 Q06124 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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 0.91 ALDH1A1 (0.43) CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E
SCHEMBL6486556 0.90 ALDH1A1 (0.42) CHRNB2CHRNA7CHRNA4ALDH1A1KDM4E
SCHEMBL6489595 0.90 MMP13 (0.43) S1PR4ALDH1A1KDM4EHPGDLMNA
SCHEMBL6502351 0.90 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDLMNAPTPN1
SCHEMBL6489862 0.90 NPC1 (0.56) ERCC5FEN1ALDH1A1KDM4EHPGD
SCHEMBL6499881 0.88 MAPKAPK2 (0.45) ALDH1A1KDM4EHPGDLMNAPOLB
SCHEMBL6498034 0.88 RAB9A (0.42) S1PR4ALDH1A1KDM4EHPGDLMNA
SCHEMBL6499804 0.87 ALDH1A1 (0.44) S1PR4ALDH1A1KDM4EHPGDLMNA
SCHEMBL6491662 0.87 ALDH1A1 (0.55) S1PR4ALDH1A1KDM4EHPGDLMNA
SCHEMBL6488068 0.87 NR4A1 (0.51) ALDH1A1KDM4EHPGDLMNANPC1

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
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO 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 ERCC5 460/4885FEN1 784/4885S1PR4 1644/4885

“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.