SCHEMBL11463570

SCHEMBL11463570

CN1CC2CC2(c2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.66
SLC6A2 P23975 6/20 0.66
SLC6A3 Q01959 6/20 0.66
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2D6 P10635 4/20 0.47

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
Hydrochloric Acid SCHEMBL4184481 0.98 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL22878457 0.89 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL17285874 0.89 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL5433122 0.84 KCNH2 (0.49) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL10994891 0.84 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL6003999 0.84 KCNH2 (0.49) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL6003376 0.84 KCNH2 (0.49) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL3207570 0.82 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25041083 0.82 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3DRD2DRD3
SCHEMBL11472691 0.82 KCNH2 (0.51) SLC6A4SLC6A2SLC6A3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023168298-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-09-07 WO disclosed
US-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 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-20080176917-A1 3-Triazolylthiaalkyl-3-Azabicyclo (3-1-O) Hexanes and Their Use as Dopamine D3 Receptor Ligands DRD3, HTR3C, HTR5A SLC6A4 194/4885SLC6A2 338/4885SLC6A3 14/4885

“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.