SCHEMBL13698272

SCHEMBL13698272

CC(C)N1CC2C[C@]2(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A3 Q01959 3/20 0.49
KCNH2 Q12809 3/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 1/20 0.49

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
SCHEMBL4178778 1.00 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4180208 1.00 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8216807 1.00 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16214801 1.00 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14124630 1.00 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4185607 1.00 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL13698157 1.00 CYP2D6 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4188451 0.99 SLC6A2 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL4187425 0.99 SLC6A2 (0.49) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4197012 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877798-B2 1-aryl-3-azabicyclo[3.1.0]hexanes: preparation and use to treat neuropsychiatric disorders NEUROVANCE, INC. (US) 2014-11-04 US disclosed
US-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2012-11-29 US disclosed
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2009-09-17 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO 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 (3 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-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP2D6 190/4885SLC6A2 276/4885SLC6A4 221/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP2D6 190/4885SLC6A2 276/4885SLC6A4 221/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 CYP2D6 2113/4885SLC6A2 1776/4885SLC6A4 1519/4885

“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.