SCHEMBL734050

SCHEMBL734050

CNC1CCC(c2ccc(C)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM1A O60341 2/20 0.38
MAOB P27338 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
SLC6A4 P31645 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
SLC18A3 Q16572 1/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL14001642 0.88 HRH3 (0.46) LMNAKDM1AMAOBHRH3ALDH1A1
SCHEMBL8226408 0.82 KDM1A (0.54) KDM1AMAOB
SCHEMBL23873614 0.79 ESR2 (0.42) LMNAKDM1AMAOBHRH3SLC6A4
SCHEMBL9517515 0.76 CYP1A2 (0.42) HRH3ALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL9517510 0.76 CYP1A2 (0.42) HRH3ALDH1A1SMN1; SMN2RAB9ACYP1A2
SCHEMBL1405569 0.76 ESR2 (0.50) LMNAALDH1A1TP53SMN1; SMN2MAPT
SCHEMBL735622 0.75 SLC6A2 (0.50) LMNAHRH3SLC6A4TP53SMN1; SMN2
SCHEMBL736266 0.74 SLC6A4 (0.50) KDM1AMAOBSLC6A4HTR2CHTR2B
SCHEMBL16892913 0.74 ESR2 (0.50) LMNAHRH3SLC6A4ALDH1A1TP53
SCHEMBL21539453 0.73 RAPGEF4 (0.40) LMNAALDH1A1MAPTATM

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 1152/4885KDM1A 1264/4885MAOB 36/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C LMNA 1152/4885KDM1A 1264/4885MAOB 36/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C LMNA 1152/4885KDM1A 1264/4885MAOB 36/4885

“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.