SCHEMBL144624

SCHEMBL144624

CN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.74
CHRM1 P11229 3/20 0.74
DRD3 P35462 3/20 0.74
HRH4 Q9H3N8 3/20 0.74
LMNA P02545 2/20 0.74
CHRM2 P08172 2/20 0.74
HTR1A P08908 2/20 0.74
ADRA2A P08913 2/20 0.74
ADRA2B P18089 2/20 0.74
ADRA2C P18825 2/20 0.74
CHRM3 P20309 2/20 0.74
DRD1 P21728 2/20 0.74
HTR2A P28223 2/20 0.74
HTR2C P28335 2/20 0.74
ADRA1A P35348 2/20 0.74
HRH1 P35367 2/20 0.74
OPRM1 P35372 2/20 0.74
HTR2B P41595 2/20 0.74
KCNH2 Q12809 2/20 0.74
SLC6A2 P23975 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
SCHEMBL8022151 0.92 DRD2 (0.80) DRD2CHRM1DRD3HRH4LMNA
Metiapine SCHEMBL121263 0.87 DRD2 (0.76) DRD2CHRM1DRD3HRH4LMNA
Metiapine SCHEMBL29710898 0.87 DRD2 (0.76) DRD2CHRM1DRD3HRH4LMNA
SCHEMBL29407324 0.87 HRH4 (0.65) DRD2CHRM1DRD3HRH4LMNA
SCHEMBL140462 0.87 HRH4 (0.65) DRD2CHRM1DRD3HRH4LMNA
SCHEMBL11505496 0.86 DRD2 (0.65) DRD2CHRM1DRD3HRH4LMNA
Clothiapine SCHEMBL122941 0.86 DRD2 (1.00) DRD2CHRM1DRD3HRH4LMNA
SCHEMBL14631841 0.86 DRD2 (1.00) DRD2CHRM1DRD3HRH4LMNA
SCHEMBL7403485 0.86 DRD2 (0.74) DRD2CHRM1DRD3HRH4LMNA
Clothiapine SCHEMBL29360219 0.86 DRD2 (1.00) DRD2CHRM1DRD3HRH4LMNA

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-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-20090075951-A1 Methods and Reagents for the Treatment of Inflammatory Disorders COMBINATORX, INC. (US) 2009-03-19 US 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
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
WO-2005072742-A1 TREATMENT OF PSYCHOSES WITH QUETIAPINE ANTIPSYCHOTIC ASTRAZENECA AB (SE) 2005-08-11 WO disclosed
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. 2005-06-02 US 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 (8 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 DRD2 4247/4885CHRM1 3012/4885DRD3 3792/4885
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A DRD2 59/4885CHRM1 1417/4885DRD3 80/4885
US-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders IL5, TNF, LTC4S DRD2 3820/4885CHRM1 3454/4885DRD3 3277/4885
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, CMA1, CCL11 DRD2 2151/4885CHRM1 1439/4885DRD3 2148/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 DRD2 3053/4885CHRM1 3915/4885DRD3 2199/4885
US-20090075951-A1 Methods and Reagents for the Treatment of Inflammatory Disorders IL5, TNF, LTC4S DRD2 3820/4885CHRM1 3454/4885DRD3 3277/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP DRD2 4506/4885CHRM1 4670/4885DRD3 4591/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP DRD2 4506/4885CHRM1 4670/4885DRD3 4591/4885

“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.