SCHEMBL6003692

SCHEMBL6003692

CN1C(=O)C2CC2(c2cccc(Cl)c2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 6/20 0.57
BACE1 P56817 11/20 0.44
CTSD P07339 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
CHRNA1 P02708 1/20 0.38
CHRNG P07510 1/20 0.38
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
SLC6A2 P23975 1/20 0.38
CHRNB4 P30926 1/20 0.38
SLC6A4 P31645 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRND Q07001 1/20 0.38
HSD11B1 P28845 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
SCHEMBL6004350 0.82 CYP19A1 (0.53) CYP19A1BACE1CTSDBACE2HSD11B1
SCHEMBL11076987 0.82 CYP19A1 (0.72) CYP19A1BACE1CTSDBACE2
SCHEMBL11078445 0.82 CYP19A1 (0.71) CYP19A1BACE1CTSDBACE2
SCHEMBL4771129 0.81 CYP19A1 (0.58) CYP19A1SLC6A2SLC6A4SLC6A3
SCHEMBL11079440 0.81 CYP19A1 (0.55) CYP19A1BACE1CTSDBACE2SLC6A2
SCHEMBL4190208 0.78 CYP19A1 (0.62) CYP19A1BACE1SLC6A2SLC6A4SLC6A3
SCHEMBL4194637 0.77 CYP19A1 (0.50) CYP19A1BACE1SLC6A2SLC6A4SLC6A3
SCHEMBL4184614 0.76 CYP19A1 (0.59) CYP19A1BACE1CTSDBACE2
SCHEMBL4181298 0.73 CYP19A1 (0.59) CYP19A1BACE1
SCHEMBL2779577 0.73 CYP19A1 (1.00) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 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 (1 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-20060223875-A1 Methods and compositions for production, formulation and use of 1-aryl-3-azabicyclo[3.1.0]hexanes HTR1B, SLC6A3, CYP1B1 CYP19A1 461/4885BACE1 469/4885CTSD 2778/4885

“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.