SCHEMBL140907

SCHEMBL140907

CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 1.00
HRH2 P25021 2/20 0.76
HRH1 P35367 2/20 0.76
HRH3 Q9Y5N1 1/20 0.76
DRD2 P14416 5/20 0.74
DRD4 P21917 5/20 0.74
DRD3 P35462 3/20 0.74
CHRM1 P11229 2/20 0.74
KCNK2 O95069 1/20 0.74
ADRB2 P07550 1/20 0.74
CHRM2 P08172 1/20 0.74
CHRM4 P08173 1/20 0.74
HTR1A P08908 1/20 0.74
CHRM5 P08912 1/20 0.74
ADRA2A P08913 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
ADRA2B P18089 1/20 0.74
ADRA2C P18825 1/20 0.74
CHRM3 P20309 1/20 0.74
DRD1 P21728 1/20 0.74

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 SCHEMBL5606161 0.98 HRH4 (0.97) HRH4HRH2HRH1HRH3DRD2
SCHEMBL9221434 0.88 HRH4 (0.78) HRH4HRH2HRH1HRH3DRD2
Loxapine SCHEMBL94146 0.85 HRH4 (1.00) HRH4HRH2HRH1HRH3DRD2
Loxapine SCHEMBL30324780 0.85 HRH4 (1.00) HRH4HRH2HRH1HRH3DRD2
Loxapine SCHEMBL29482385 0.85 HRH4 (1.00) HRH4HRH2HRH1HRH3DRD2
Isoloxapine SCHEMBL2738975 0.85 HRH4 (1.00) HRH4HRH2HRH1HRH3DRD2
SCHEMBL7412478 0.85 HRH4 (0.74) HRH4HRH2HRH1HRH3DRD2
SCHEMBL2615391 0.85 HRH4 (0.74) HRH4HRH2HRH1HRH3DRD2
SCHEMBL2615385 0.85 HRH4 (0.74) HRH4HRH2HRH1HRH3DRD2
Loxapine SCHEMBL19386241 0.85 HRH4 (1.00) HRH4HRH2HRH1HRH3DRD2

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
WO-2010048264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2010-04-29 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
EP-1593676-B1 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 CAMH (CA) 2009-10-07 EP disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ 2009-06-11 US disclosed
US-20090075951-A1 Methods and Reagents for the Treatment of Inflammatory Disorders COMBINATORX, INC. (US) 2009-03-19 US disclosed
EP-1599212-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2005-11-30 EP 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-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INCORPORATED 2005-09-01 US disclosed
US-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders COMBINATORX, INCORPORATED 2005-08-25 US disclosed
US-20050112199-A1 Therapeutic regimens for administering drug combinations COMBINATORX, INCORPORATED 2005-05-26 US disclosed
US-6890919-B2 Atypical antipsychotic agents having low affinity for the D2 receptor KAPUR SHITIJ (CA) 2005-05-10 US disclosed
WO-2005030132-A2 THERAPEUTIC REGIMENS FOR ADMINISTERING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2005-04-07 WO disclosed
WO-2005027839-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-03-31 WO disclosed
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX, INCORPORATED 2004-11-11 US disclosed
WO-2004073614-A2 COMBINATION THERAPY FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2004-09-02 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 (7 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A HRH4 171/4885HRH2 1025/4885HRH1 558/4885
US-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders IL5, TNF, LTC4S HRH4 159/4885HRH2 205/4885HRH1 276/4885
US-20090149442-A1 Atypical antipsychotic agents having low affinity for the D2 receptor DRD2, OPRD1, GRIN2A HRH4 493/4885HRH2 475/4885HRH1 628/4885
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, CMA1, CCL11 HRH4 4/4885HRH2 7/4885HRH1 13/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 HRH4 675/4885HRH2 814/4885HRH1 1423/4885
US-20090075951-A1 Methods and Reagents for the Treatment of Inflammatory Disorders IL5, TNF, LTC4S HRH4 159/4885HRH2 205/4885HRH1 276/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP HRH4 354/4885HRH2 583/4885HRH1 1027/4885

“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.