SCHEMBL123205

SCHEMBL123205

CN1CC[C@@H](OC(=O)C[C@H]2CN(C3=Nc4cc(Cl)ccc4Oc4ccccc43)CCN2C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.56
DRD2 P14416 6/20 0.56
DRD4 P21917 5/20 0.56
MEN1 O00255 2/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
PMP22 Q01453 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C9 P11712 1/20 0.51
BLM P54132 1/20 0.51
HTR2C P28335 5/20 0.49
DRD1 P21728 5/20 0.49
ADRA2A P08913 4/20 0.49
HTR2A P28223 4/20 0.49
HRH2 P25021 3/20 0.49
HRH1 P35367 3/20 0.49

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
SCHEMBL123204 1.00 HRH4 (0.56) HRH4DRD2DRD4MEN1LMNA
SCHEMBL300291 0.92 HRH4 (0.55) HRH4DRD2DRD4MEN1LMNA
SCHEMBL300290 0.92 HRH4 (0.55) HRH4DRD2DRD4MEN1LMNA
SCHEMBL300062 0.91 HRH4 (0.54) HRH4DRD2DRD4MEN1LMNA
SCHEMBL122841 0.91 HRH4 (0.54) HRH4DRD2DRD4MEN1LMNA
SCHEMBL300323 0.88 HRH4 (0.59) HRH4DRD2DRD4MEN1LMNA
SCHEMBL300322 0.88 HRH4 (0.59) HRH4DRD2DRD4MEN1LMNA
SCHEMBL301396 0.87 HRH4 (0.57) HRH4DRD2DRD4MEN1LMNA
SCHEMBL300100 0.86 HRH4 (0.52) HRH4DRD2DRD4MEN1LMNA
SCHEMBL300101 0.86 HRH4 (0.52) HRH4DRD2DRD4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137180-B1 DIBENZO [B,F][1,4] OXAZAPINE COMPOUNDS ARYX THERAPEUTICS INC (US) 2012-03-07 EP claimed
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 claimed
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS PROTOCELL THERAPEUTICS INC. 2008-10-16 US claimed
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 1547/4885DRD2 7/4885DRD4 2/4885
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 HRH4 1547/4885DRD2 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.