SCHEMBL728522

SCHEMBL728522

OC1CCC2(c3ccc(Cl)c(Cl)c3)CC12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 19/20 0.48
SLC6A4 P31645 18/20 0.48
SLC6A2 P23975 13/20 0.48
CYP2D6 P10635 6/20 0.45
KCNH2 Q12809 6/20 0.45
CYP1A2 P05177 5/20 0.45
CYP2C19 P33261 5/20 0.45
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP1A1 P04798 4/20 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
SCHEMBL728308 0.81 SLC6A4 (0.48) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL730458 0.79 SLC6A4 (0.47) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL14983897 0.78 SLC6A4 (0.52) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL14983905 0.78 SLC6A4 (0.52) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL728236 0.77 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL728230 0.77 SLC6A4 (0.44) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL728575 0.76 SLC6A4 (0.48) SLC6A3SLC6A4SLC6A2CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL728765 0.76 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
Hydrochloric Acid SCHEMBL728742 0.76 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2CYP2D6KCNH2
SCHEMBL728555 0.75 SLC6A2 (0.41) SLC6A3SLC6A4SLC6A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138377-B2 Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use DOV PHARMACEUTICAL, INC. (US) 2012-03-20 US disclosed
US-8138377-B2 Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use DOV PHARMACEUTICAL, INC. (US) 2012-03-20 US disclosed
US-8138377-B2 Arylbicyclo[3.1.0]hexylamines and methods and compositions for their preparation and use DOV PHARMACEUTICAL, INC. (US) 2012-03-20 US disclosed
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-11-27 US disclosed
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-11-27 US disclosed
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-11-27 US disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 US disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 US disclosed
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-10-30 US disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 US disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 US disclosed
US-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 US disclosed
WO-2008057575-A2 NOVEL ARYLBICYCLO[3.1.0]HEXYLAMINES AND METHODS AND COMPOSITIONS FOR THEIR PREPARATION AND USE DOV PHARMACEUTICAL, INC. (US) 2008-05-15 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-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SLC6A3 76/4885SLC6A4 93/4885SLC6A2 150/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SLC6A3 76/4885SLC6A4 93/4885SLC6A2 150/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SLC6A3 76/4885SLC6A4 93/4885SLC6A2 150/4885

“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.