SCHEMBL20457249

SCHEMBL20457249

CC(C)N1CC[C@@](C)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.55
SLC6A4 P31645 8/20 0.55
SLC6A3 Q01959 7/20 0.55
KCNH2 Q12809 6/20 0.41
CYP2D6 P10635 3/20 0.40
OPRM1 P35372 1/20 0.40
CYP2C19 P33261 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL20785606 1.00 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL29964264 0.83 CYP2D6 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6OPRM1
SCHEMBL22917840 0.80 OPRM1 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL20785729 0.80 OPRM1 (0.54) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL19261776 0.76 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL26957500 0.76 CYP2D6 (0.61) KCNH2CYP2D6OPRM1
SCHEMBL14625431 0.74 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14144537 0.74 OPRM1 (0.44) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL19261820 0.74 SIGMAR1 (0.48) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL3186840 0.72 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19

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-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
US-10039746-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders OTSUKA AMERICA PHARMACEUTICAL, INC. (US) 2018-08-07 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 (2 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-10039746-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders HTR3C, HTR1D, HTR1B SLC6A2 310/4885SLC6A4 261/4885SLC6A3 112/4885
US-20210023049-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C SLC6A2 276/4885SLC6A4 221/4885SLC6A3 92/4885

“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.