SCHEMBL1780960

SCHEMBL1780960

[CH2]C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.52
CYP19A1 P11511 2/20 0.52
CHRM2 P08172 2/20 0.46
HTR1A P08908 2/20 0.46
ADRA2A P08913 2/20 0.46
CHRM1 P11229 2/20 0.46
DRD1 P21728 2/20 0.46
TBXA2R P21731 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ADRA1A P35348 2/20 0.46
DRD3 P35462 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KCNH2 Q12809 2/20 0.46
BCL2 P10415 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SLC6A9 P48067 4/20 0.43

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
SCHEMBL2905814 0.80 CYP2D6 (0.52) CYP2D6CYP19A1CHRM2HTR1AADRA2A
SCHEMBL1780961 0.80 CYP2D6 (0.52) CYP2D6CYP19A1CHRM2HTR1AADRA2A
SCHEMBL1500596 0.80 CYP2D6 (0.52) CYP2D6CYP19A1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL1782142 0.78 CYP2D6 (0.50) CYP2D6CYP19A1CHRM2HTR1AADRA2A
Bromide SCHEMBL1782497 0.78 CYP2D6 (0.50) CYP2D6CYP19A1CHRM2HTR1AADRA2A
SCHEMBL16343451 0.76 CYP2D6 (0.56) CYP2D6CYP19A1CHRM2HTR1AADRA2A
SCHEMBL14034023 0.76 CYP2D6 (0.51) CYP2D6CYP19A1CHRM2HTR1AADRA2A
SCHEMBL2906638 0.74 CYP2D6 (0.46) CYP2D6CYP19A1CHRM2HTR1AADRA2A
SCHEMBL1779185 0.74 CYP2D6 (0.46) CYP2D6CYP19A1CHRM2HTR1AADRA2A
SCHEMBL3296944 0.74 SLC6A9 (0.53) CYP2D6CYP19A1CHRM2HTR1AADRA2A

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-8207355-B2 Method for preparing azetidine derivatives SANOFI-AVENTIS (FR) 2012-06-26 US disclosed
US-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-05-19 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-20110118481-A1 METHOD FOR PREPARING AZETIDINE DERIVATIVES QDPR, AZI2, NISCH CYP2D6 183/4885CYP19A1 740/4885CHRM2 2313/4885

“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.