SCHEMBL142391

SCHEMBL142391

CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccc(O)cc32)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.75
DRD2 P14416 7/20 0.75
DRD4 P21917 6/20 0.75
DRD3 P35462 3/20 0.75
HRH1 P35367 2/20 0.75
HRH4 Q9H3N8 2/20 0.75
CYP1A2 P05177 2/20 0.75
CHRM2 P08172 2/20 0.75
CHRM4 P08173 2/20 0.75
CYP3A4 P08684 2/20 0.75
CHRM5 P08912 2/20 0.75
CYP2D6 P10635 2/20 0.75
CHRM3 P20309 2/20 0.75
DRD1 P21728 2/20 0.75
KCNH2 Q12809 2/20 0.75
HTR3E A5X5Y0 1/20 0.75
MEN1 O00255 1/20 0.75
CACNA1F O60840 1/20 0.75
HTR3B O95264 1/20 0.75
ABCB11 O95342 1/20 0.75

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
SCHEMBL21248895 0.89 HRH4 (0.61) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL22073541 0.88 CHRM1 (0.75) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL22146771 0.87 DRD2 (0.77) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL29283918 0.86 DRD2 (0.95) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL8397 0.86 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL5501558 0.86 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL29590817 0.86 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL20876213 0.86 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL29360001 0.86 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL29433929 0.86 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1

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 46 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-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
EP-1670427-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2009-01-07 EP disclosed
US-20090005358-A1 Compositions and methods for treating medical conditions LG CHEM, LTD. (KR) 2009-01-01 US disclosed
WO-2009002507-A1 COMPOSITIONS AND METHODS FOR TREATING MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2008-12-31 WO 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-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
WO-2005048927-A2 METHODS AND REAGENTS FOR THE TREATMENT OF INFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-06-02 WO disclosed
US-20050112199-A1 Therapeutic regimens for administering drug combinations COMBINATORX, INCORPORATED 2005-05-26 US disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 WO 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-20090005358-A1 Compositions and methods for treating medical conditions ITCH, TSLP, P2RX5 CHRM1 3012/4885DRD2 4247/4885DRD4 4101/4885
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A CHRM1 1417/4885DRD2 59/4885DRD4 82/4885
US-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders IL5, TNF, LTC4S CHRM1 3454/4885DRD2 3820/4885DRD4 2733/4885
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, CMA1, CCL11 CHRM1 1439/4885DRD2 2151/4885DRD4 1628/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 CHRM1 3915/4885DRD2 3053/4885DRD4 2515/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP CHRM1 4670/4885DRD2 4506/4885DRD4 3322/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP CHRM1 4670/4885DRD2 4506/4885DRD4 3322/4885

“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.