SCHEMBL22917840

SCHEMBL22917840

CN1CC[C@@](C)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.54
SLC6A3 Q01959 8/20 0.52
SLC6A2 P23975 7/20 0.52
SLC6A4 P31645 7/20 0.52
CYP2D6 P10635 4/20 0.48
KCNH2 Q12809 4/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
OPRD1 P41143 1/20 0.44

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
SCHEMBL20785729 1.00 OPRM1 (0.54) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL19261819 0.86 SLC6A4 (0.43) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL20785639 0.86 SLC6A4 (0.43) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL19261820 0.80 SIGMAR1 (0.48) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL20785606 0.80 SLC6A2 (0.55) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL19261776 0.80 SLC6A2 (0.49) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL20457249 0.80 SLC6A2 (0.55) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL3122638 0.79 OPRM1 (0.52) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL3122249 0.79 OPRM1 (0.52) OPRM1SLC6A3SLC6A2SLC6A4CYP2D6
SCHEMBL20785716 0.78 SIGMAR1 (0.50) OPRM1SLC6A3SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders DOV PHARMACEUTICAL, INC. 2021-01-28 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-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C OPRM1 258/4885SLC6A3 92/4885SLC6A2 276/4885

“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.