SCHEMBL141985

SCHEMBL141985

c1ccc2c(c1)Cc1ccccc1C(N1CCNCC1)=N2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.71
DRD2 P14416 7/20 0.59
MAPK1 P28482 2/20 0.53
HRH1 P35367 4/20 0.53
HTR2A P28223 4/20 0.53
CHRM2 P08172 3/20 0.49
CHRM4 P08173 3/20 0.49
CHRM5 P08912 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 3/20 0.49
DRD1 P21728 3/20 0.49
KCNH2 Q12809 3/20 0.49
HTR2C P28335 3/20 0.49
ADRA2A P08913 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
MTOR P42345 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49

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
SCHEMBL3411698 0.85 MAPK1 (0.76) HRH4DRD2MAPK1HRH1HTR2A
SCHEMBL3408007 0.85 DRD2 (0.63) HRH4DRD2MAPK1HRH1HTR2A
Perlapine SCHEMBL114768 0.83 HRH4 (1.00) HRH4DRD2MAPK1HRH1HTR2A
Perlapine SCHEMBL29397855 0.83 HRH4 (1.00) HRH4DRD2MAPK1HRH1HTR2A
SCHEMBL725002 0.82 DRD2 (0.49) HRH4DRD2MAPK1HRH1HTR2A
SCHEMBL11877889 0.79 HRH4 (0.49) HRH4DRD2MAPK1HRH1HTR2A
SCHEMBL5289610 0.78 ADRB1 (0.48) HRH4DRD2HTR2AHTR2CCYP3A4
SCHEMBL167601 0.76 DRD2 (0.74) HRH4DRD2HRH1HTR2ACHRM2
SCHEMBL3410493 0.76 CHRM1 (0.74) HRH4DRD2MAPK1HRH1HTR2A
SCHEMBL29969899 0.76 DRD2 (0.74) HRH4DRD2HRH1HTR2ACHRM2

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 40 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
WO-2009002507-A1 COMPOSITIONS AND METHODS FOR TREATING MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2008-12-31 WO disclosed
US-20080280862-A1 Methods, compositions, and kits for the treatment of pain COMBINATORX, INCORPORATED 2008-11-13 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
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
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
EP-0447857-B1 A polycyclic compound, method for preparing the same, and pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL (JP) 1994-12-14 EP disclosed
US-5344828-A Antiallergens; bronchial asthma HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
EP-0447857-A1 A polycyclic compound, method for preparing the same, and pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-09-25 EP 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-20080280862-A1 Methods, compositions, and kits for the treatment of pain ACHE, MPO, P2RX3 HRH4 1720/4885DRD2 3771/4885MAPK1 4548/4885
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A HRH4 171/4885DRD2 59/4885MAPK1 4679/4885
US-20050187200-A1 Methods and reagents for the treatment of inflammatory disorders IL5, TNF, LTC4S HRH4 159/4885DRD2 3820/4885MAPK1 4316/4885
US-20050192261-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, CMA1, CCL11 HRH4 4/4885DRD2 2151/4885MAPK1 4539/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 HRH4 675/4885DRD2 3053/4885MAPK1 4608/4885
US-20090075951-A1 Methods and Reagents for the Treatment of Inflammatory Disorders IL5, TNF, LTC4S HRH4 159/4885DRD2 3820/4885MAPK1 4316/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP HRH4 354/4885DRD2 4506/4885MAPK1 4752/4885
US-20050119160-A1 Methods and reagents for the treatment of immunoinflammatory disorders IL5, TPMT, TSLP HRH4 354/4885DRD2 4506/4885MAPK1 4752/4885

“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.