SCHEMBL734738

SCHEMBL734738

C=CCC(OC(C)=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
STAT3 P40763 1/20 0.40
LMNA P02545 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALOX5 P09917 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
FFAR1 O14842 1/20 0.35
CCR3 P51677 1/20 0.34
TGM2 P21980 1/20 0.34
MAPT P10636 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL28192661 1.00 SLC6A2 (0.43) SLC6A2SLC6A3STAT3LMNAUTS2R
SCHEMBL27983310 0.87 CYP1A2 (0.42) PABPC1APOBEC3AAPOBEC3GCYP2C19PPARG
SCHEMBL27983492 0.87 CYP1A2 (0.42) PABPC1APOBEC3AAPOBEC3GCYP2C19PPARG
SCHEMBL27983484 0.86 BRD4 (0.41) UTS2RPABPC1APOBEC3AAPOBEC3GHPGD
SCHEMBL27983491 0.86 BRD4 (0.41) UTS2RPABPC1APOBEC3AAPOBEC3GHPGD
SCHEMBL12143882 0.85 CYP2C19 (0.53) LMNAPABPC1APOBEC3AAPOBEC3GCYP2C19
SCHEMBL27983309 0.85 CYP2C19 (0.53) LMNAPABPC1APOBEC3AAPOBEC3GCYP2C19
SCHEMBL22436286 0.85 CYP2C19 (0.53) LMNAPABPC1APOBEC3AAPOBEC3GCYP2C19
SCHEMBL28193313 0.84 PKM (0.43) UTS2RCYP2C19ALOX5HPGDFFAR1
SCHEMBL28192644 0.84 PKM (0.43) UTS2RCYP2C19ALOX5HPGDFFAR1

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 4 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
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 (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 SLC6A2 150/4885SLC6A3 76/4885STAT3 3679/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SLC6A2 150/4885SLC6A3 76/4885STAT3 3679/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SLC6A2 150/4885SLC6A3 76/4885STAT3 3679/4885

“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.