SCHEMBL4664840

SCHEMBL4664840

ClCc1csc2c(Cl)cccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.39
CYP1A2 P05177 3/20 0.39
DRD3 P35462 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CHRM1 P11229 1/20 0.38
IDO1 P14902 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL2090742 0.83 CYP2A6 (0.38) CYP2A6CYP1A2DRD3TDP1LMNA
SCHEMBL6002962 0.83 CYP1A2 (0.38) CYP2A6CYP1A2DRD3TDP1LMNA
SCHEMBL3985620 0.83 CYP2A6 (0.38) CYP2A6CYP1A2DRD3TDP1LMNA
SCHEMBL8587770 0.80 TAAR1 (0.50) CYP2A6CYP1A2DRD3TDP1LMNA
SCHEMBL10692392 0.79 CYP2A6 (0.38) CYP2A6CYP1A2ALDH1A1HTR2A
SCHEMBL2091808 0.75 CYP1A2 (0.34) CYP2A6CYP1A2DRD3TDP1LMNA
SCHEMBL25012755 0.72 CYP1A2 (0.42) CYP2A6CYP1A2DRD3TDP1LMNA
SCHEMBL787846 0.72 CYP2A6 (0.42) CYP2A6CYP1A2ALDH1A1MIFNR4A2
SCHEMBL2092545 0.72 CYP1A2 (0.42) CYP2A6CYP1A2DRD3TDP1LMNA
SCHEMBL29908309 0.72 CYP2A6 (0.42) CYP2A6CYP1A2ALDH1A1MIFNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323433-B2 R-(-)-1-[2-(7-chlorobenzo[b]thiopen-3-yl-methoxy)-2-(2,4-dichlorophenyl)-ethyl]-1H-imidazole FERRER INTERNACIONAL, S.A. (ES) 2008-01-29 US disclosed
EP-1474422-B1 R-(-)-1-¬2-(7-CHLOROBENZO-¬B -THIOPHEN-3-Yl-METHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL -1H-IMIDAZOLE FERRER INT (ES) 2008-01-02 EP disclosed
US-20050065201-A1 R-(-)-1-[2-(7- chlorobenzo[b]thiophen-3-yl- methoxy)-2-(2,4-dichlorophenyl)- ethyl]-1H-imidazole FERRER INTERNACIONAL S.A. (ES) 2005-03-24 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-20050065201-A1 R-(-)-1-[2-(7- chlorobenzo[b]thiophen-3-yl- methoxy)-2-(2,4-dichlorophenyl)- ethyl]-1H-imidazole IRF3, IRF2BP2, ARG2 CYP2A6 2609/4885CYP1A2 696/4885DRD3 2558/4885

“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.