SCHEMBL6496691

SCHEMBL6496691

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RAC1 P63000 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 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
SCHEMBL6499550 0.90 MAPKAPK2 (0.41) MAPTTP53KMT2AKDM4EHSD17B10
SCHEMBL6488949 0.88 NQO2 (0.51) MAPTHPGDKMT2AKDM4ECYP1A2
SCHEMBL6498804 0.85 TP53 (0.40) MAPTTP53KMT2AKDM4EHSD17B10
SCHEMBL6492485 0.84 MAPT (0.39) MAPTTP53HPGDKMT2AKDM4E
SCHEMBL6488068 0.83 NR4A1 (0.51) MAPTHPGDKDM4ECYP1A2CYP2C19
SCHEMBL6498034 0.82 RAB9A (0.42) MAPTHPGDKMT2AKDM4ECYP1A2
SCHEMBL6485604 0.82 CHRNA7 (0.45) MAPTTP53NPC1RAB9ASMN1; SMN2
SCHEMBL6486920 0.82 ALDH1A1 (0.40) MAPTTP53HPGDKMT2AKDM4E
SCHEMBL6496112 0.81 SLC9A1 (0.46) MAPTHPGDKMT2AKDM4ECYP1A2
SCHEMBL6491662 0.81 ALDH1A1 (0.55) MAPTHPGDKMT2AKDM4ECYP1A2

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 MAPT 4385/4885TP53 2577/4885HPGD 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.