SCHEMBL13698263

SCHEMBL13698263

CCOc1ccc2cc(C3CC(=O)N(C)C3=O)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.50
TSHR P16473 2/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CYP1A2 P05177 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13698283 0.85 CYP19A1 (0.54) CYP19A1TSHRKMT2AMAPTCA12
SCHEMBL17583744 0.80 KMT2A (0.66) CYP19A1TSHRKMT2AMAPTKDM4E
SCHEMBL983389 0.70 CYP19A1 (0.52) CYP19A1TSHRKMT2A
SCHEMBL983108 0.70 CYP19A1 (0.52) CYP19A1TSHRKMT2ABRD4
SCHEMBL13698259 0.70 CYP19A1 (0.59) CYP19A1TSHRKMT2A
SCHEMBL29629327 0.69 NQO1 (0.68) CYP19A1TSHRKMT2AMAPTCA12
SCHEMBL3825385 0.69 NQO1 (0.68) CYP19A1TSHRKMT2AMAPTCA12
SCHEMBL13698264 0.68 CYP19A1 (0.56) CYP19A1TSHRKMT2A
SCHEMBL13698232 0.68 SLC6A4 (0.47) TSHRMAPTKDM4E
SCHEMBL4576760 0.68 SLC6A4 (0.45) TSHRKMT2ACA12CA1CYP1A2

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.