SCHEMBL10125525

SCHEMBL10125525

CC(=O)C(C)(C)C1CN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CCN1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.62
DRD2 P14416 5/20 0.62
DRD4 P21917 4/20 0.62
HRH1 P35367 4/20 0.62
DRD3 P35462 4/20 0.62
HTR2A P28223 4/20 0.62
HRH2 P25021 3/20 0.62
CHRM1 P11229 3/20 0.62
HTR1A P08908 3/20 0.62
ADRA2A P08913 3/20 0.62
ADRB2 P07550 2/20 0.62
CHRM2 P08172 2/20 0.62
CHRM4 P08173 2/20 0.62
CHRM5 P08912 2/20 0.62
ADORA3 P0DMS8 2/20 0.62
ADRA2B P18089 2/20 0.62
ADRA2C P18825 2/20 0.62
CHRM3 P20309 2/20 0.62
DRD1 P21728 2/20 0.62
DRD5 P21918 2/20 0.62

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
SCHEMBL10125483 0.94 HRH4 (0.62) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL10125507 0.94 HRH4 (0.62) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL121855 0.93 HRH1 (0.62) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL10125526 0.88 HRH1 (0.59) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL172324 0.88 HRH1 (0.56) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL121787 0.86 HRH4 (0.65) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL123140 0.86 HRH4 (0.65) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL123139 0.86 HRH4 (0.65) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL123038 0.86 HRH4 (0.65) HTR2CDRD2DRD4HRH1DRD3
SCHEMBL121788 0.86 HRH4 (0.65) HTR2CDRD2DRD4HRH1DRD3

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-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-8093237-B2 11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazapine compounds; psychological disorders, sleep disorders; antipsychotic agents that modulate monoaminergic neurotransmitter receptor subtypes; side effect reduction ARYX THERAPEUTICS, INC. (US) 2012-01-10 US disclosed
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS PROTOCELL THERAPEUTICS INC. 2008-10-16 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 (2 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-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 HTR2C 58/4885DRD2 7/4885DRD4 2/4885
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 HTR2C 58/4885DRD2 7/4885DRD4 2/4885

“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.