SCHEMBL735510

SCHEMBL735510

Cc1ccc(C2CCC(N(C)C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.44
SLC6A4 P31645 16/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40
HTR1A P08908 2/20 0.39
DRD1 P21728 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR1B P28222 2/20 0.39
HTR2A P28223 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR6 P50406 1/20 0.37

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
SCHEMBL14001646 0.88 SPHK1 (0.54) SPHK1SLC6A4MAP1LC3BSLC6A2SLC6A3
SCHEMBL1405569 0.76 ESR2 (0.50) MAP1LC3BHTR2ALMNACYP3A4CYP2C9
SCHEMBL735534 0.75 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL20063877 0.75 MAP1LC3B (0.36) SPHK1MAP1LC3BHTR2ALMNACYP3A4
SCHEMBL7973077 0.75 ALOX5 (0.40) MAP1LC3BLMNACYP3A4CYP2C9HRH3
SCHEMBL7972773 0.75 ALOX5 (0.40) MAP1LC3BLMNACYP3A4CYP2C9HRH3
SCHEMBL12398749 0.75 SLC6A4 (0.36) SLC6A4HTR1ADRD1SLC6A2HTR1B
SCHEMBL7973079 0.75 ALOX5 (0.40) MAP1LC3BLMNACYP3A4CYP2C9HRH3
SCHEMBL7972771 0.75 ALOX5 (0.40) MAP1LC3BLMNACYP3A4CYP2C9HRH3
SCHEMBL7972772 0.75 ALOX5 (0.40) MAP1LC3BLMNACYP3A4CYP2C9HRH3

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 SPHK1 3028/4885SLC6A4 93/4885MAP1LC3B 1307/4885
US-20080293822-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SPHK1 3028/4885SLC6A4 93/4885MAP1LC3B 1307/4885
US-20080269348-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C SPHK1 3028/4885SLC6A4 93/4885MAP1LC3B 1307/4885

“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.