SCHEMBL13698267

SCHEMBL13698267

CN1C(=O)CC(c2ccc(Cl)cc2Cl)C1=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
CYP19A1 P11511 1/20 0.46
TP53 P04637 1/20 0.46
ACHE P22303 2/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
PDE5A O76074 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL13698249 0.72 KMT2A (0.49) KMT2ATSHRCYP19A1TP53ACHE
SCHEMBL30477683 0.68 TP53 (0.44) TSHRTP53MAPTALDH1A1HTT
SCHEMBL16212244 0.68 TP53 (0.44) TSHRTP53MAPTALDH1A1HTT
SCHEMBL10415997 0.67 GABRP (0.43) KMT2AACHEMEN1MAPTHTT
SCHEMBL7436894 0.67 DPP4 (0.46) KMT2ATSHRTP53MEN1MAPT
SCHEMBL13698259 0.67 CYP19A1 (0.59) KMT2ATSHRCYP19A1
SCHEMBL3886406 0.66 GPBAR1 (0.49) KMT2ATSHRTP53ALDH1A1CYP1A2
SCHEMBL6951189 0.66 IDO1 (0.61) KMT2AMEN1MAPTHTT
Phensuximide SCHEMBL35333 0.66 KMT2A (1.00) KMT2ATSHRCYP19A1MEN1MAPT
Phensuximide SCHEMBL35334 0.66 KMT2A (1.00) KMT2ATSHRCYP19A1MEN1MAPT

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.