SCHEMBL7124028

SCHEMBL7124028

NC(=O)c1cccc(Sc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.43
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
EZH2 Q15910 1/20 0.39
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
SIRT3 Q9NTG7 1/20 0.34
CHEK2 O96017 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MGLL Q99685 1/20 0.34
CCR2 P41597 1/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33

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
SCHEMBL7124390 0.90 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4EZH2SLC6A2
SCHEMBL7120639 0.90 CHRNA7 (0.43) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7125274 0.88 CHRNA7 (0.43) CHRNA7CHRNB2CHRNA4EZH2SLC6A2
SCHEMBL7121781 0.87 CHRNA7 (0.44) CHRNA7EZH2MGLL
SCHEMBL7127524 0.87 CHRNA7 (0.55) CHRNA7EZH2HTR3EHTR3BHTR3A
SCHEMBL7127459 0.86 CHRNA7 (0.43) CHRNA7EZH2MGLLGRM5
SCHEMBL7120751 0.85 CHRNA7 (0.41) CHRNA7EZH2CCR2
SCHEMBL7121838 0.84 MTNR1A (0.45) CHRNA7EZH2OPRM1SIRT2CHEK2
SCHEMBL7122401 0.84 EPHX2 (0.43) CHRNA7EZH2SLC6A2SLC6A4SLC6A3
SCHEMBL7125201 0.83 DDB1 (0.43) CHRNA7CHRNB2CHRNA4EZH2SLC6A2

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 397/4885CHRNB2 899/4885CHRNA4 786/4885

“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.