SCHEMBL13698273

SCHEMBL13698273

O=C1CC(c2ccc(Cl)c(Cl)c2)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SLC6A2 P23975 6/20 0.41
SLC6A3 Q01959 6/20 0.41
SLC6A4 P31645 5/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL7815009 0.83 SLC6A2 (0.41) MEN1KMT2ASLC6A2SLC6A3SLC6A4
SCHEMBL10017610 0.81 CTRC (0.47) THRBMEN1KMT2ASIRT2MAPT
SCHEMBL10690598 0.80 MEN1 (0.55) THRBMEN1KMT2AMAPT
SCHEMBL11673870 0.79 CEL (0.42) THRBMEN1KMT2ASIRT2SLC6A2
SCHEMBL657183 0.79 SLC6A2 (0.44) THRBBACE1SLC6A2SLC6A3SLC6A4
SCHEMBL11317303 0.78 ALDH1A1 (0.47) THRBMEN1KMT2ASIRT2MAPT
SCHEMBL30975191 0.75 ALDH1A1 (0.38) THRBMEN1KMT2ASIRT2MAPT
SCHEMBL8030364 0.75 ALDH1A1 (0.38) THRBMEN1KMT2ASIRT2MAPT
SCHEMBL28293063 0.73 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4
SCHEMBL12172558 0.73 CTRB1 (0.44) THRBMEN1KMT2AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders OTSUKA AMERICA PHARMACEUTICAL, INC. 2012-11-29 US disclosed
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
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 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 (3 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-20120302619-A1 Novel 1-aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C THRB 1905/4885MEN1 1425/4885KMT2A 998/4885
US-20090233978-A1 Novel 1-Aryl-3-Azabicyclo[3.1.0]Hexanes: Preparation And Use To Treat Neuropsychiatric Disorders HTR3C, HTR1B, HTR2C THRB 1905/4885MEN1 1425/4885KMT2A 998/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 THRB 2465/4885MEN1 4852/4885KMT2A 3155/4885

“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.