SCHEMBL13201897

SCHEMBL13201897

CCCCc1ccc(S(=O)(=O)Nc2ccc(C34CNC[C@H]3C4)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 16/20 1.00
DRD2 P14416 14/20 1.00
KCNH2 Q12809 10/20 1.00
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
HTR6 P50406 5/20 0.53
HTR2A P28223 4/20 0.52
HTR2C P28335 4/20 0.52
MLNR O43193 1/20 0.52
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL13219279 1.00 DRD3 (1.00) DRD3DRD2KCNH2FFAR1FFAR4
SCHEMBL13201899 0.81 KCNH2 (1.00) DRD3DRD2KCNH2CYP1A2CYP3A4
SCHEMBL13219278 0.81 KCNH2 (1.00) DRD3DRD2KCNH2CYP1A2CYP3A4
SCHEMBL13201895 0.81 KCNH2 (0.73) DRD3DRD2KCNH2CYP1A2CYP3A4
SCHEMBL13219296 0.81 KCNH2 (0.73) DRD3DRD2KCNH2CYP1A2CYP3A4
SCHEMBL13201890 0.81 KCNH2 (1.00) DRD3DRD2KCNH2LMNA
SCHEMBL2965790 0.81 KCNH2 (1.00) DRD3DRD2KCNH2LMNA
SCHEMBL4713245 0.79 KCNH2 (0.65) DRD3DRD2KCNH2CYP1A2CYP3A4
SCHEMBL13201893 0.78 KCNH2 (1.00) DRD3DRD2KCNH2
SCHEMBL13219171 0.78 KCNH2 (1.00) DRD3DRD2KCNH2

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-7776904-B2 Azabicyclo [3.1.0] hexylphenyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-08-17 US disclosed
US-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2009-01-29 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-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, HTR3C DRD3 1/4885DRD2 2/4885KCNH2 1057/4885

“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.