SCHEMBL733324

SCHEMBL733324

OC1C=C(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.38
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2C P28335 1/20 0.32
MMP3 P08254 1/20 0.32
BCL2L1 Q07817 1/20 0.32

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
SCHEMBL8187300 0.87 SLC18A3 (0.39) SLC18A3ALDH1A1
SCHEMBL31146753 0.87 SLC18A3 (0.39) SLC18A3ALDH1A1
SCHEMBL16321470 0.79 CHRNB2 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL728734 0.78 NISCH (0.35) SLC18A3ALDH1A1KMT2A
SCHEMBL13264346 0.73 KDM1A (0.38) ALDH1A1SIGMAR1
SCHEMBL7357477 0.72 RAB9A (0.41) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL14336997 0.70 MAT2A (0.45) SLC18A3ALDH1A1SIGMAR1HTR2C
Biphenyl SCHEMBL28893342 0.69 ALDH1A1 (0.56) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL31146750 0.69 HTR2C (0.43) ALDH1A1NPC1RAB9AKMT2AHTR2C
SCHEMBL11884164 0.69 ALDH1A1 (0.37) SLC18A3ALDH1A1SIGMAR1NPC1RAB9A

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 8 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-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-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-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
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 SLC18A3 268/4885ALDH1A1 379/4885SIGMAR1 1033/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SLC18A3 268/4885ALDH1A1 379/4885SIGMAR1 1033/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SLC18A3 268/4885ALDH1A1 379/4885SIGMAR1 1033/4885

“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.