SCHEMBL142771

SCHEMBL142771

COc1ccc2c(c1)C(N1CCN(C)CC1)=Nc1cc(Cl)ccc1N2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.76
DRD2 P14416 6/20 0.73
DRD4 P21917 5/20 0.73
DRD3 P35462 4/20 0.73
HRH1 P35367 2/20 0.72
DRD1 P21728 2/20 0.72
KCNH2 Q12809 2/20 0.72
HRH4 Q9H3N8 2/20 0.72
HTR3E A5X5Y0 1/20 0.72
MEN1 O00255 1/20 0.72
CACNA1F O60840 1/20 0.72
HTR3B O95264 1/20 0.72
ABCB11 O95342 1/20 0.72
LMNA P02545 1/20 0.72
CYP1A2 P05177 1/20 0.72
POLB P06746 1/20 0.72
ADRB2 P07550 1/20 0.72
CHRM2 P08172 1/20 0.72
CHRM4 P08173 1/20 0.72
CYP3A4 P08684 1/20 0.72

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
SCHEMBL3406688 0.89 DRD2 (0.70) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL5918366 0.86 CHRM1 (1.00) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL22146771 0.85 DRD2 (0.77) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL3411914 0.85 CHRM1 (1.00) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL142391 0.84 CHRM1 (0.75) CHRM1DRD2DRD4DRD3HRH1
SCHEMBL22073541 0.84 CHRM1 (0.75) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL20876213 0.84 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL8397 0.84 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL5501558 0.84 DRD2 (1.00) CHRM1DRD2DRD4DRD3HRH1
Clozapine SCHEMBL29590817 0.84 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 20 patents. 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-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-20070299043-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-12-27 US disclosed
EP-1680121-A4 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX INC (US) 2007-12-26 EP disclosed
US-20070208134-A1 Anti-scarring drug combinations and use thereof HUNTER WILLIAM L 2007-09-06 US disclosed
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof ANGIOTECH INTERNATIONAL AG (CH) 2007-08-23 US disclosed
US-20070198063-A1 Electrical devices and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
US-20070197957-A1 Implantable sensors, implantable pumps and anti-scarring drug combinations HUNTER WILLIAM L 2007-08-23 US disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041593-A2 ANTI-SCARRING DRUG COMBINATIONS AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
US-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INC. (US) 2007-01-11 US disclosed
EP-1680121-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS CombinatoRx, Incorporated (US) 2006-07-19 EP disclosed
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders COMBINATORX INCORPORATED 2005-09-01 US disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US disclosed
WO-2005037203-A2 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2005-04-28 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-20070010502-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP CHRM1 4670/4885DRD2 4506/4885DRD4 3322/4885
US-20070208134-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 CHRM1 2602/4885DRD2 3169/4885DRD4 3707/4885
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, CMA1, CCL11 CHRM1 1439/4885DRD2 2151/4885DRD4 1628/4885
US-20070196421-A1 Soft tissue implants and drug combination compositions, and use thereof COL2A1, MMP1, FN1 CHRM1 3219/4885DRD2 3577/4885DRD4 4298/4885
US-20070299043-A1 Anti-scarring drug combinations and use thereof MMP1, COL2A1, COL1A1 CHRM1 2602/4885DRD2 3169/4885DRD4 3707/4885
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.