SCHEMBL10193127

SCHEMBL10193127

CN(C)C1CC2CC2(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
MAOB P27338 6/20 0.37
MAOA P21397 3/20 0.37
KDM4A O75164 3/20 0.37
KDM4B O94953 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
OPRD1 P41143 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL728733 0.84 SLC6A2 (0.47) OPRM1OPRK1OPRL1MAOBMAOA
SCHEMBL11789163 0.78 MAOB (0.48) MAOBMAOA
SCHEMBL728207 0.76 SLC6A2 (0.50)
SCHEMBL728604 0.74 SLC6A3 (0.43) SIGMAR1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL728784 0.73 SLC6A3 (0.42) SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL17552322 0.72 MAOB (0.45) OPRL1MAOBMAOA
SCHEMBL17029491 0.71 DRD2 (0.38) SIGMAR1OPRM1OPRK1MAOBMAOA
SCHEMBL17546371 0.68 DRD2 (0.42) OPRM1OPRK1OPRL1KDM4AKDM4B
SCHEMBL11766751 0.66 HTR2A (0.45) SIGMAR1OPRM1OPRK1OPRL1MAOB
SCHEMBL21311875 0.65 KDM1A (0.51) OPRM1OPRK1OPRL1OPRD1

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 3 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-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-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

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-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SIGMAR1 1033/4885OPRM1 91/4885OPRK1 112/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SIGMAR1 1033/4885OPRM1 91/4885OPRK1 112/4885

“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.