SCHEMBL6003460

SCHEMBL6003460

Cc1ccc([C@]2(C#N)C[C@H]2CO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.37
MAOB P27338 4/20 0.37
MAOA P21397 2/20 0.37
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
CCR2 P41597 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CHRNA1 P02708 1/20 0.30
CHRNG P07510 1/20 0.30
CHRNB1 P11230 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL6003710 1.00 OPRM1 (0.37) OPRM1MAOBMAOASLC6A2SLC6A3
SCHEMBL4080962 1.00 OPRM1 (0.37) OPRM1MAOBMAOASLC6A2SLC6A3
SCHEMBL13224947 1.00 OPRM1 (0.37) OPRM1MAOBMAOASLC6A2SLC6A3
SCHEMBL29914544 0.83 PNMT (0.33) KMT2A
SCHEMBL13224856 0.83 PTGS2 (0.36) OPRM1MAOBMAOA
SCHEMBL13224854 0.83 PTGS2 (0.36) OPRM1MAOBMAOA
SCHEMBL13224837 0.83 PTGS2 (0.36) OPRM1MAOBMAOA
SCHEMBL8927314 0.83 PTGS2 (0.36) OPRM1MAOBMAOA
SCHEMBL4402453 0.83 PTGS2 (0.36) OPRM1MAOBMAOA
SCHEMBL18346581 0.83 CCR2 (0.35) CCR2KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204486-A1 Process for the Synthesis of (+)and (-)-1 Aryl-3-Azabicyclo(3.1.0) Hexanes MERCK & CO., INC. (US) 2010-08-12 US disclosed
US-20100204486-A1 Process for the Synthesis of (+)and (-)-1 Aryl-3-Azabicyclo(3.1.0) Hexanes MERCK & CO., INC. (US) 2010-08-12 US disclosed
WO-2007127421-A2 PROCESS FOR THE SYNTHESIS OF (+) AND (-)-1-ARYL-3-AZABICYCLO[3.1.0]HEXANES MERCK & CO., INC. (US) 2007-11-08 WO disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes DOV PHARMACEUTICAL, INC. 2006-10-05 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-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 OPRM1 173/4885MAOB 2096/4885MAOA 1725/4885
US-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 OPRM1 279/4885MAOB 22/4885MAOA 71/4885
US-20100204486-A1 Process for the Synthesis of (+)and (-)-1 Aryl-3-Azabicyclo(3.1.0) Hexanes ADH1C, AVPR1B, HTR1B OPRM1 34/4885MAOB 14/4885MAOA 156/4885

“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.