SCHEMBL172324

SCHEMBL172324

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.56
HTR2A P28223 7/20 0.56
HTR2C P28335 5/20 0.56
DRD2 P14416 4/20 0.56
DRD4 P21917 4/20 0.56
DRD3 P35462 4/20 0.56
HRH2 P25021 3/20 0.56
CHRM1 P11229 3/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
PMP22 Q01453 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ADRB2 P07550 2/20 0.56
CHRM2 P08172 2/20 0.56
CHRM4 P08173 2/20 0.56
HTR1A P08908 2/20 0.56

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
SCHEMBL300212 0.94 HRH4 (0.57) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300069 0.94 HRH4 (0.57) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300328 0.94 HRH4 (0.57) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL170368 0.91 HRH1 (0.55) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL10125525 0.88 HTR2C (0.62) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL121855 0.88 HRH1 (0.62) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300316 0.86 HRH4 (0.53) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300599 0.86 HRH4 (0.53) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL300597 0.86 HRH4 (0.53) HRH1HTR2AHTR2CDRD2DRD4
SCHEMBL311174 0.85 HRH4 (0.54) HRH1HTR2AHTR2CDRD2DRD4

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 10 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-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
US-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
EP-2137180-B1 DIBENZO [B,F][1,4] OXAZAPINE COMPOUNDS ARYX THERAPEUTICS INC (US) 2012-03-07 EP 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-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
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS PROTOCELL THERAPEUTICS INC. 2008-10-16 US disclosed
WO-2008112900-A1 DIBENZO[B,F][1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2008-09-18 WO 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 HRH1 1821/4885HTR2A 148/4885HTR2C 58/4885
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 HRH1 1821/4885HTR2A 148/4885HTR2C 58/4885

“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.