SCHEMBL4188514

SCHEMBL4188514

CC(C)N1CCN(C2=Nc3cc(C(F)(F)F)ccc3Oc3ccccc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.71
DRD4 P21917 5/20 0.54
DRD2 P14416 4/20 0.54
HRH2 P25021 3/20 0.47
HRH1 P35367 3/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DRD3 P35462 4/20 0.46
CHRM1 P11229 3/20 0.46
ADRA2A P08913 3/20 0.46
HTR2A P28223 3/20 0.46
ADRB2 P07550 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
HTR1A P08908 2/20 0.46
CHRM5 P08912 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
CHRM3 P20309 2/20 0.46
DRD1 P21728 2/20 0.46

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
Hydrochloric Acid SCHEMBL3836472 0.99 HRH4 (0.70) HRH4DRD4DRD2HRH2HRH1
SCHEMBL3837735 0.85 HRH4 (0.61) HRH4DRD4DRD2HRH2HRH1
SCHEMBL3405530 0.84 DRD2 (0.61) HRH4DRD4DRD2HRH2HRH1
SCHEMBL7256287 0.84 HRH4 (0.76) HRH4DRD4DRD2HRH2HRH1
SCHEMBL3834014 0.83 HRH4 (1.00) HRH4DRD4DRD2HRH2HRH1
SCHEMBL4173790 0.83 HRH4 (0.54) HRH4DRD4DRD2HRH2HRH1
Hydrochloric Acid SCHEMBL3837449 0.82 HRH4 (0.53) HRH4DRD4DRD2HRH2HRH1
SCHEMBL4187091 0.81 HRH4 (0.53) HRH4DRD4DRD2HRH2HRH1
SCHEMBL3840090 0.81 HRH4 (0.52) HRH4DRD4DRD2HRH2HRH1
Hydrochloric Acid SCHEMBL3834186 0.81 HRH4 (0.52) HRH4DRD4DRD2HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 US claimed
EP-1406881-B8 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR CAMH (CA) 2006-10-25 EP claimed
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2006-07-27 US claimed
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2005-10-06 US claimed
EP-1406881-A1 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR Neuromolecular, Inc. (CA) 2004-04-14 EP claimed
US-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor NEUROMOLECULAR, INC. (CA) 2003-07-17 US claimed
WO-2003000670-A1 A11-PIPERAZINYLDIBENZO (B, F) (1, 4) OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR NEUROMOLECULAR, INC. (CA) 2003-01-03 WO claimed
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 US disclosed
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 US disclosed
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 US disclosed
EP-1406881-B8 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR CAMH (CA) 2006-10-25 EP disclosed
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2006-07-27 US disclosed
EP-1593676-A1 8-Chloro-11-(4-(2'-hydroxyethyl)piperazin-1-yl)-dibenzo[b,f][1,4]oxazepine of atypical anti-psychotic activity and having a low affinity for the dopamine D2 receptor Neuromolecular, Inc. (CA) 2005-11-09 EP disclosed
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2005-10-06 US disclosed
US-6890919-B2 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ (CA) 2005-05-10 US disclosed
EP-1406881-A1 11-PIPERAZINYLDIBENZO(B,F)(1,4)OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR Neuromolecular, Inc. (CA) 2004-04-14 EP disclosed
US-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor NEUROMOLECULAR, INC. (CA) 2003-07-17 US disclosed
WO-2003000670-A1 A11-PIPERAZINYLDIBENZO (B, F) (1, 4) OXAZEPINES AND THIAZEPINES AS ATYPICAL ANTIPSYCHOTIC AGENTS HAVING LOW AFFINITY FOR THE D2 RECEPTOR NEUROMOLECULAR, INC. (CA) 2003-01-03 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 (4 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-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A HRH4 493/4885DRD4 11/4885DRD2 1/4885
US-20050222121-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A HRH4 493/4885DRD4 11/4885DRD2 1/4885
US-20060166965-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A HRH4 493/4885DRD4 11/4885DRD2 1/4885
US-20030135042-A1 Atypical antipsychotic agents having low affinity for the D2 Receptor OPRD1, HTR1A, DRD2 HRH4 528/4885DRD4 17/4885DRD2 3/4885

“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.