SCHEMBL7126777

SCHEMBL7126777

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc2c(Br)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.42
NCEH1 Q6PIU2 3/20 0.37
CHRNA7 P36544 1/20 0.36
DRD4 P21917 2/20 0.35
HTR3A P46098 1/20 0.35
GRM5 P41594 2/20 0.34
PTPN1 P18031 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL7124887 0.91 GRM5 (0.37) CHRNA7DRD4GRM5
SCHEMBL7120687 0.88 KDM2B (0.39) HTR3AGRM5PTPN1CHRNB4CHRNA3
SCHEMBL6099256 0.87 SSTR3 (0.40) GRM5
SCHEMBL7116435 0.87 GRM5 (0.39) GRM5
SCHEMBL7124744 0.87 DRD4 (0.39) DRD4HTR3AGRM5
SCHEMBL6101324 0.87 CYP2C9 (0.37) CHRNA7HTR3AGRM5PTPN1CHRNB4
SCHEMBL7115114 0.87 GRM5 (0.37) HTR3AGRM5PTPN1CHRNB4CHRNA3
SCHEMBL7120585 0.87 SLC6A3 (0.38) CHRNA7HTR3AGRM5PTPN1CHRNB4
SCHEMBL7115066 0.85 PTPN1 (0.40) HTR3AGRM5PTPN1CHRNB4CHRNA3
SCHEMBL7122552 0.85 SLC6A2 (0.34) NCEH1HTR3AGRM5

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 SLC9A1 1386/4885NCEH1 755/4885CHRNA7 397/4885

“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.