SCHEMBL7124891

SCHEMBL7124891

CC(=O)Nc1cncc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.38
RIPK2 O43353 1/20 0.37
EZH2 Q15910 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DYRK1A Q13627 2/20 0.34
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
HTR1F P30939 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32

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
SCHEMBL7117116 0.89 CHRNA7 (0.42) CHRNA7EZH2KDM4EKMT2ASLC6A2
SCHEMBL7116046 0.87 CHRNA7 (0.43) CHRNA7EZH2KMT2ASMYD3
SCHEMBL7115037 0.87 CHRNA7 (0.38) CHRNA7EZH2KDM4EMEN1KMT2A
SCHEMBL7124206 0.86 SMYD3 (0.41) CHRNA7RIPK2EZH2SLC6A2SLC6A4
SCHEMBL7127357 0.84 SMYD3 (0.41) CHRNA7EZH2SLC6A4SLC6A3CHRNB4
SCHEMBL7124006 0.84 MAPT (0.40) RIPK2DYRK1AHTR1FCHRNB4CHRNA3
SCHEMBL7125259 0.83 NSD2 (0.41) CHRNA7EZH2KDM4EMEN1KMT2A
SCHEMBL7116911 0.83 SLC6A2 (0.37) CHRNA7RIPK2EZH2SLC6A2SLC6A4
SCHEMBL7126672 0.83 CHRNA7 (0.35) CHRNA7DYRK1ASLC6A2SLC6A4SLC6A3
SCHEMBL7122463 0.83 CHRNA7 (0.36) CHRNA7EZH2SLC6A2SLC6A4SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 CHRNA7 397/4885RIPK2 4371/4885EZH2 462/4885

“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.