SCHEMBL6003339

SCHEMBL6003339

CCN1C[C@H]2C[C@@]2(c2ccc(C)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A3 Q01959 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MGLL Q99685 1/20 0.41

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
SCHEMBL14615319 1.00 KCNH2 (0.52) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL4075128 1.00 KCNH2 (0.52) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL6002385 1.00 KCNH2 (0.52) KCNH2DRD2DRD3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5437235 0.98 KCNH2 (0.51) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL4074941 0.88 KCNH2 (0.43) KCNH2DRD2DRD3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL5447866 0.86 KCNH2 (0.42) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL4073749 0.86 KCNH2 (0.51) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL29964653 0.86 KCNH2 (0.51) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL11077313 0.86 KCNH2 (0.54) KCNH2DRD2DRD3SLC6A2SLC6A4
SCHEMBL11084454 0.86 KCNH2 (0.54) KCNH2DRD2DRD3SLC6A2SLC6A4

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-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 US claimed
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 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-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 KCNH2 936/4885DRD2 227/4885DRD3 239/4885

“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.