SCHEMBL7120585

SCHEMBL7120585

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR3A P46098 1/20 0.35
GRM5 P41594 2/20 0.34
CHRNA7 P36544 1/20 0.34
PTPN1 P18031 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
SSTR3 P32745 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 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
SCHEMBL7114386 0.91 SLC6A3 (0.38) SLC6A3SLC6A2SLC6A4GRM5CHRNA7
SCHEMBL7120687 0.88 KDM2B (0.39) HTR3AGRM5PTPN1CHRNB4CHRNA3
SCHEMBL7115066 0.87 PTPN1 (0.40) HTR3AGRM5PTPN1CHRNB4CHRNA3
SCHEMBL7116435 0.87 GRM5 (0.39) GRM5SSTR3
SCHEMBL7115114 0.87 GRM5 (0.37) SLC6A3SLC6A2SLC6A4HTR3AGRM5
SCHEMBL6099256 0.87 SSTR3 (0.40) SLC6A3SLC6A4GRM5SSTR3
SCHEMBL7126777 0.87 SLC9A1 (0.42) HTR3AGRM5CHRNA7PTPN1CHRNB4
SCHEMBL7124744 0.87 DRD4 (0.39) SLC6A3SLC6A2SLC6A4HTR3AGRM5
SCHEMBL6101324 0.87 CYP2C9 (0.37) HTR3AGRM5CHRNA7PTPN1CHRNB4
SCHEMBL7122552 0.85 SLC6A2 (0.34) SLC6A3SLC6A2SLC6A4HTR3AGRM5

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 SLC6A3 2265/4885SLC6A2 1156/4885SLC6A4 2137/4885

“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.