SCHEMBL4667124

SCHEMBL4667124

C=CC1CC2CCC(C1)N2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.48
LMNA P02545 1/20 0.48
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 5/20 0.34
CHRM1 P11229 7/20 0.32
CHRM3 P20309 5/20 0.32
SLC6A4 P31645 4/20 0.32
CHRM2 P08172 3/20 0.32
HRH1 P35367 2/20 0.32
DRD3 P35462 2/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
DRD1 P21728 1/20 0.32
HRH2 P25021 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 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
SCHEMBL29953201 0.75 LMNA (0.48) CYP2C9LMNASLC6A3SLC6A2CYP1A2
SCHEMBL9020085 0.75 LMNA (0.48) CYP2C9LMNASLC6A3SLC6A2CYP1A2
SCHEMBL3438658 0.74
SCHEMBL3620248 0.70 CYP2C9 (0.55) CYP2C9LMNASLC6A3SLC6A2CHRM1
SCHEMBL22266632 0.70 SLC6A3 (0.44) CYP2C9LMNASLC6A3SLC6A2SLC6A4
SCHEMBL9432467 0.70 LMNA (0.48) CYP2C9LMNASLC6A3SLC6A2CHRM1
SCHEMBL8190717 0.70 LMNA (0.48) CYP2C9LMNASLC6A3SLC6A2CHRM1
SCHEMBL709977 0.67 ALDH1A1 (0.36)
SCHEMBL17798828 0.67
SCHEMBL215376 0.67 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913726-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-09 US disclosed
US-20190119237-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-04-25 US disclosed
EP-1434604-A4 4-HALOETHENYLPHENYL TROPANE:SEROTONIN TRANSPORTER IMAGING AGENTS UNIV EMORY (US) 2008-01-09 EP disclosed
US-6843979-B2 4-haloethenylphenyl tropane:serotonin transporter imaging agents EMORY UNIVERSITY (US) 2005-01-18 US disclosed
EP-1434604-A2 4-HALOETHENYLPHENYL TROPANE:SEROTONIN TRANSPORTER IMAGING AGENTS Emory University (US) 2004-07-07 EP disclosed
WO-2003031452-A2 4-HALOETHENYLPHENYL TROPANE:SEROTONIN TRANSPORTER IMAGING AGENTS EMORY UNIVERSITY (US) 2003-04-17 WO disclosed
US-20020099184-A1 4-Haloethenyphenyl tropane:serotonin transporter imaging agents ENERGY, UNITED STATES DEPARTMENT OF 2002-07-25 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 (3 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-20020099184-A1 4-Haloethenyphenyl tropane:serotonin transporter imaging agents SLC6A4, SLC6A2, SLC6A3 CYP2C9 2067/4885LMNA 4370/4885SLC6A3 3/4885
US-20190119237-A1 CENTRALLY ACTIVE AND ORALLY BIOAVAILABLE ANTIDOTES FOR ORGANOPHOSPHATE EXPOSURE AND METHODS FOR MAKING AND USING THEM ACHE, BCHE, IDE CYP2C9 85/4885LMNA 3687/4885SLC6A3 615/4885
US-10913726-B2 Centrally active and orally bioavailable antidotes for organophosphate exposure and methods for making and using them ACHE, BCHE, IDE CYP2C9 85/4885LMNA 3687/4885SLC6A3 615/4885

“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.