SCHEMBL6004350

SCHEMBL6004350

CN1C(=O)C2CC2(c2cccc(C#N)c2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.53
BACE1 P56817 13/20 0.47
BACE2 Q9Y5Z0 3/20 0.44
NSD2 O96028 1/20 0.42
CTSD P07339 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL6003692 0.82 CYP19A1 (0.57) CYP19A1BACE1BACE2CTSDHSD11B1
SCHEMBL11078445 0.78 CYP19A1 (0.71) CYP19A1BACE1BACE2CTSD
SCHEMBL11079440 0.77 CYP19A1 (0.55) CYP19A1BACE1BACE2CTSD
SCHEMBL4190208 0.72 CYP19A1 (0.62) CYP19A1BACE1
SCHEMBL4181298 0.70 CYP19A1 (0.59) CYP19A1BACE1
SCHEMBL6002297 0.70 CYP19A1 (0.72) CYP19A1BACE1
SCHEMBL11076987 0.70 CYP19A1 (0.72) CYP19A1BACE1BACE2CTSD
SCHEMBL4771129 0.69 CYP19A1 (0.58) CYP19A1
SCHEMBL14101938 0.69 KDM1A (0.40) BACE1BACE2NSD2HSD11B1
SCHEMBL4190618 0.68 CYP19A1 (0.57) CYP19A1BACE1BACE2CTSD

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 1 patent. 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

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 469/4885BACE2 1298/4885

“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.