SCHEMBL734536

SCHEMBL734536

Cc1ccc(C2CCC(N)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
KDM1A O60341 4/20 0.42
SPHK1 Q9NYA1 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
LMNA P02545 2/20 0.40
SLC18A3 Q16572 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 2/20 0.35
ESR2 Q92731 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL13476556 1.00 MAOB (0.42) MAOBKDM1ASPHK1HTR2AHTR2C
SCHEMBL12463654 1.00 MAOB (0.42) MAOBKDM1ASPHK1HTR2AHTR2C
SCHEMBL13346946 0.88 KDM1A (0.41) KDM1AHTR2AHTR2CHTR2BLMNA
SCHEMBL19033731 0.87 SPHK1 (0.51) MAOBKDM1ASPHK1HTR2AHTR2C
SCHEMBL8594527 0.87 SPHK1 (0.51) MAOBKDM1ASPHK1HTR2AHTR2C
Hydrochloric Acid SCHEMBL11831674 0.85 SPHK1 (0.50) MAOBKDM1ASPHK1HTR2AHTR2C
SCHEMBL805437 0.82 SPHK1 (0.47) MAOBKDM1ASPHK1HTR2AHTR2C
SCHEMBL1405569 0.79 ESR2 (0.50) HTR2AHTR2CHTR2BLMNASLC18A3
SCHEMBL28817279 0.79 KDM1A (0.52) MAOBKDM1ASPHK1HTR2CHTR2B
SCHEMBL14140602 0.79 KDM1A (0.42) MAOBKDM1ASPHK1MAOAESR2

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 MAOB 36/4885KDM1A 1264/4885SPHK1 3028/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C MAOB 36/4885KDM1A 1264/4885SPHK1 3028/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C MAOB 36/4885KDM1A 1264/4885SPHK1 3028/4885

“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.