SCHEMBL736813

SCHEMBL736813

CNC1CCCC1c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 11/20 0.58
GRIA2 P42262 1/20 0.42
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36

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
SCHEMBL16748038 0.83 KDM1A (0.42) GRIA4GRIA2
SCHEMBL19493576 0.82 GRIA4 (0.57) GRIA4HTR2C
SCHEMBL13075268 0.82 GRIA4 (0.57) GRIA4HTR2C
SCHEMBL13076110 0.82 GRIA4 (0.57) GRIA4HTR2C
SCHEMBL22754979 0.82 GRIA4 (0.57) GRIA4HTR2C
SCHEMBL13452615 0.82 GRIA4 (0.57) GRIA4HTR2C
SCHEMBL20833256 0.78 GRIA4 (0.53) GRIA4HTR2CALDH1A1
SCHEMBL7046563 0.78 GRIA4 (0.53) GRIA4HTR2CALDH1A1
SCHEMBL26721601 0.78 GRIA4 (0.53) GRIA4HTR2CALDH1A1
SCHEMBL10193138 0.75 SLC6A2 (0.49) ADRB1DRD3HTR2AHTR2CHTR2B

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-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

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-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C GRIA4 59/4885GRIA2 144/4885ADRB2 339/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C GRIA4 59/4885GRIA2 144/4885ADRB2 339/4885

“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.