SCHEMBL10125545

SCHEMBL10125545

C=C(OCC)C(CC)(CC)C1CN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.50
DRD4 P21917 5/20 0.50
DRD2 P14416 3/20 0.50
HTR2C P28335 5/20 0.48
HTR2A P28223 5/20 0.48
ADRA2A P08913 5/20 0.48
HTR1A P08908 4/20 0.48
HRH2 P25021 3/20 0.48
HRH1 P35367 3/20 0.48
ADRB2 P07550 2/20 0.48
CHRM2 P08172 2/20 0.48
CHRM4 P08173 2/20 0.48
CHRM5 P08912 2/20 0.48
ADORA3 P0DMS8 2/20 0.48
CHRM1 P11229 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
CHRM3 P20309 2/20 0.48
DRD1 P21728 2/20 0.48
DRD5 P21918 2/20 0.48

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
SCHEMBL10125546 0.91 HRH4 (0.49) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL10125569 0.91 HRH4 (0.53) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL10125540 0.91 HRH4 (0.53) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL311174 0.90 HRH4 (0.54) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL172280 0.90 HRH4 (0.54) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL312011 0.90 HRH4 (0.54) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL10125512 0.87 HRH4 (0.57) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL121751 0.87 HRH4 (0.60) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL121752 0.87 HRH4 (0.60) HRH4DRD4DRD2HTR2CHTR2A
SCHEMBL123979 0.87 HRH4 (0.60) HRH4DRD4DRD2HTR2CHTR2A

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 HRH4 1547/4885DRD4 2/4885DRD2 7/4885
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 HRH4 1547/4885DRD4 2/4885DRD2 7/4885

“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.