SCHEMBL13698277

SCHEMBL13698277

Cc1ccc(C2CC(=O)N(C)C2=O)cc1F

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.56
TSHR P16473 1/20 0.55
KMT2A Q03164 1/20 0.55
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
SLC6A4 P31645 2/20 0.46
SIRT2 Q8IXJ6 2/20 0.44
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
RIPK1 Q13546 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.36

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
SCHEMBL13698264 0.88 CYP19A1 (0.56) CYP19A1TSHRKMT2ASLC6A2SLC6A3
SCHEMBL13698259 0.88 CYP19A1 (0.59) CYP19A1TSHRKMT2ASLC6A2SLC6A3
SCHEMBL17583744 0.74 KMT2A (0.66) CYP19A1TSHRKMT2ASLC6A2SLC6A3
Phensuximide SCHEMBL35334 0.72 KMT2A (1.00) CYP19A1TSHRKMT2A
Phensuximide SCHEMBL35333 0.72 KMT2A (1.00) CYP19A1TSHRKMT2A
SCHEMBL13698249 0.71 KMT2A (0.49) CYP19A1TSHRKMT2ASLC6A4
SCHEMBL13698283 0.71 CYP19A1 (0.54) CYP19A1TSHRKMT2ASLC6A2SLC6A3
SCHEMBL7930709 0.71 ADRA1A (0.55) TSHRKMT2ASLC6A2SLC6A3SLC6A4
SCHEMBL7930713 0.71 ADRA1A (0.55) TSHRKMT2ASLC6A2SLC6A3SLC6A4
SCHEMBL983108 0.70 CYP19A1 (0.52) CYP19A1TSHRKMT2ASLC6A2SLC6A3

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-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2009-09-17 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-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C CYP19A1 857/4885TSHR 1995/4885KMT2A 998/4885

“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.