SCHEMBL6499550

SCHEMBL6499550

O=C(NC1CC2CC1CN2)c1ccc(-c2ccc(NC(=O)C(F)(F)F)cc2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 3/20 0.40
PTPN11 Q06124 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 4/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL6496691 0.90 MAPT (0.40) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL6490649 0.87 MEN1 (0.49) MAPKAPK2PTPN1ALDH1A1PTPN11POLB
SCHEMBL6502351 0.84 ALDH1A1 (0.52) PTPN1ALDH1A1POLBNPC1MAPT
SCHEMBL6486920 0.84 ALDH1A1 (0.40) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL6486583 0.84 TUBB4A (0.43) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL6485912 0.83 ALDH1A1 (0.43) PTPN1ALDH1A1PTPN11POLBNPC1
SCHEMBL6489856 0.83 ERCC5 (0.45) PTPN1ALDH1A1PTPN11POLBNPC1
SCHEMBL6490768 0.82 MAPKAPK2 (0.41) MAPKAPK2PTPN1ALDH1A1PTPN11POLB
SCHEMBL6486556 0.82 ALDH1A1 (0.42) PTPN1ALDH1A1PTPN11POLBNPC1
SCHEMBL6489862 0.82 NPC1 (0.56) PTPN1ALDH1A1POLBNPC1MAPT

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 MAPKAPK2 4793/4885PTPN1 881/4885ALDH1A1 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.