SCHEMBL736949

SCHEMBL736949

C=CCC(OC(C)=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SLC6A3 Q01959 5/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 2/20 0.37
NOTUM Q6P988 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
SCHEMBL27983491 0.84 BRD4 (0.41) FFAR1
SCHEMBL27983484 0.84 BRD4 (0.41) FFAR1
SCHEMBL7150533 0.81 LMNA (0.46) LMNASLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL28192661 0.79 SLC6A2 (0.43) LMNASLC6A3SLC6A2HTTFFAR1
SCHEMBL734738 0.79 SLC6A2 (0.43) LMNASLC6A3SLC6A2HTTFFAR1
SCHEMBL27983492 0.79 CYP1A2 (0.42) ALDH1A1
SCHEMBL27983310 0.79 CYP1A2 (0.42) ALDH1A1
SCHEMBL27983483 0.79 CCR3 (0.54) LMNAALDH1A1HTT
SCHEMBL27983247 0.79 CCR3 (0.54) LMNAALDH1A1HTT
SCHEMBL8067450 0.78 ALDH1A1 (0.43) LMNASLC6A3SLC6A2SLC6A4ALDH1A1

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 LMNA 1152/4885SLC6A3 76/4885SLC6A2 150/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C LMNA 1152/4885SLC6A3 76/4885SLC6A2 150/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C LMNA 1152/4885SLC6A3 76/4885SLC6A2 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.