SCHEMBL13698249

SCHEMBL13698249

CN1C(=O)CC(c2ccc(F)cc2F)C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
CYP19A1 P11511 1/20 0.46
ACHE P22303 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.40
SRD5A1 P18405 3/20 0.39
HTR1A P08908 3/20 0.37
SLC6A4 P31645 3/20 0.37
GRM2 Q14416 2/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL30877884 0.76 SLC6A4 (0.62) HTR1ASLC6A4HTR2ADRD2HTR7
SCHEMBL13698259 0.73 CYP19A1 (0.59) KMT2ATSHRCYP19A1SLC6A4
SCHEMBL17919003 0.73 ACHE (0.40) ACHETP53SRD5A1GRM2HTR2A
SCHEMBL13698267 0.72 KMT2A (0.49) KMT2ATSHRCYP19A1ACHEMEN1
SCHEMBL30054114 0.72 RIPK1 (0.50) KMT2ATSHRCYP19A1MEN1MAPT
SCHEMBL29206536 0.72 RIPK1 (0.50) KMT2ATSHRCYP19A1MEN1MAPT
SCHEMBL10653199 0.72 HTR2A (0.46) ACHETP53HTR2AHTR2CHTR2B
SCHEMBL13698277 0.71 CYP19A1 (0.56) KMT2ATSHRCYP19A1SLC6A4
SCHEMBL13698264 0.71 CYP19A1 (0.56) KMT2ATSHRCYP19A1SLC6A4HTR2A
SCHEMBL29206538 0.70 IDO1 (0.58) KMT2AMEN1MAPTHTR1ASLC6A4

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 KMT2A 998/4885TSHR 1995/4885CYP19A1 857/4885

“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.