SCHEMBL121787

SCHEMBL121787

CC(C)(C(=O)O)[C@@H]1CN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CCN1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.65
DRD4 P21917 5/20 0.56
DRD2 P14416 3/20 0.56
HTR2A P28223 8/20 0.53
HRH1 P35367 6/20 0.53
HTR2C P28335 5/20 0.53
ADRA2A P08913 5/20 0.53
HRH2 P25021 3/20 0.53
HTR1A P08908 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
PMP22 Q01453 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ADRB2 P07550 2/20 0.53
CHRM2 P08172 2/20 0.53
CHRM4 P08173 2/20 0.53

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
SCHEMBL123140 1.00 HRH4 (0.65) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL123139 1.00 HRH4 (0.65) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL123038 1.00 HRH4 (0.65) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL121788 1.00 HRH4 (0.65) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL121855 0.94 HRH1 (0.62) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL10125507 0.93 HRH4 (0.62) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL10125483 0.93 HRH4 (0.62) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL300367 0.90 HRH4 (0.60) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL300554 0.90 HRH4 (0.60) HRH4DRD4DRD2HTR2AHRH1
SCHEMBL300366 0.90 HRH4 (0.60) HRH4DRD4DRD2HTR2AHRH1

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
EP-2137180-A1 DIBENZO [B,F][1,4] OXAZAPINE COMPOUNDS Aryx Therapeutics, Inc. (US) 2009-12-30 EP claimed
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS PROTOCELL THERAPEUTICS INC. 2008-10-16 US claimed
WO-2008112900-A1 DIBENZO[B,F][1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2008-09-18 WO claimed
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-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 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.