SCHEMBL4470449

SCHEMBL4470449

Clc1ccc(-c2ccc(C34C=CCN(CC3)C4)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.38
SLC6A4 P31645 9/20 0.38
SLC6A3 Q01959 9/20 0.38
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
CNR2 P34972 1/20 0.34
HSD11B1 P28845 5/20 0.33
MCHR1 Q99705 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
AKT3 Q9Y243 1/20 0.31
FYN P06241 1/20 0.31

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
SCHEMBL4475112 0.88 CHRNA7 (0.37) KDM1A
SCHEMBL4463819 0.88 HSD11B1 (0.38) HSD11B1
Bromide SCHEMBL4466117 0.86 HSD11B1 (0.37) HSD11B1
SCHEMBL4463770 0.86 ALOX5AP (0.34)
SCHEMBL4463735 0.85 RXFP1 (0.39) SLC6A4KDM4EALDH1A1FYN
SCHEMBL5220760 0.82 CYP11B1 (0.36) CYP3A4CYP2D6ALDH1A1FYN
SCHEMBL4461401 0.82 ALOX5AP (0.31) KDM1A
Bromide SCHEMBL4479130 0.81 CYP11B1 (0.35) CYP3A4CYP2D6ALDH1A1FYN
SCHEMBL1483198 0.81 ALOX5AP (0.37) AKT1AKT2AKT3
SCHEMBL1482889 0.81 ALOX5AP (0.38) KDM1AFYN

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-7585974-B2 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2009-09-08 US claimed
US-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application SANOFI-AVENTIS (FR) 2007-08-09 US claimed

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-20070185137-A1 Derivatives of 5-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, their preparation and their therapeutic application PAICS, CYC1, AADAC SLC6A2 2250/4885SLC6A4 2872/4885SLC6A3 1896/4885

“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.