SCHEMBL140462

SCHEMBL140462

CN1CCN(C2=Nc3cnccc3Sc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.65
DRD2 P14416 5/20 0.59
CHRM1 P11229 3/20 0.59
DRD3 P35462 3/20 0.59
LMNA P02545 2/20 0.59
CHRM2 P08172 2/20 0.59
HTR1A P08908 2/20 0.59
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
CHRM3 P20309 2/20 0.59
DRD1 P21728 2/20 0.59
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
ADRA1A P35348 2/20 0.59
HRH1 P35367 2/20 0.59
OPRM1 P35372 2/20 0.59
HTR2B P41595 2/20 0.59
KCNH2 Q12809 2/20 0.59
SLC6A2 P23975 1/20 0.59

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
SCHEMBL29407324 1.00 HRH4 (0.65) HRH4DRD2CHRM1DRD3LMNA
SCHEMBL144624 0.87 DRD2 (0.74) HRH4DRD2CHRM1DRD3LMNA
SCHEMBL7413950 0.80 HRH4 (0.71) HRH4DRD2CHRM1DRD3LMNA
SCHEMBL8022151 0.79 DRD2 (0.80) HRH4DRD2CHRM1DRD3LMNA
SCHEMBL13409925 0.79 HRH4 (0.74) HRH4DRD2CHRM1DRD3LMNA
SCHEMBL29384841 0.78 HRH4 (0.59) HRH4DRD2CHRM1DRD3LMNA
SCHEMBL9181334 0.78 HRH4 (0.59) HRH4DRD2CHRM1DRD3LMNA
Metiapine SCHEMBL29710898 0.75 DRD2 (0.76) HRH4DRD2CHRM1DRD3LMNA
Metiapine SCHEMBL121263 0.75 DRD2 (0.76) HRH4DRD2CHRM1DRD3LMNA
SCHEMBL11559143 0.75 DRD2 (0.59) HRH4DRD2CHRM1DRD3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607129-B1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH SA (BE) 1995-08-23 EP claimed
US-5393752-A Psycholigical disorders THERABEL RESEARCH S.A./N.V. (BE) 1995-02-28 US claimed
EP-0607129-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE. THERABEL RESEARCH SA (BE) 1994-07-27 EP claimed
WO-1993007143-A1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH S.A./N.V. (BE) 1993-04-15 WO claimed
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
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
EP-0607129-B1 METHYLPIPERAZINOAZEPINE DERIVATIVES, THEIR PREPARATION AND USE THERABEL RESEARCH SA (BE) 1995-08-23 EP disclosed
US-5393752-A Psycholigical disorders THERABEL RESEARCH S.A./N.V. (BE) 1995-02-28 US 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 (4 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 171/4885DRD2 59/4885CHRM1 1417/4885
US-20040224876-A1 Combination therapy for the treatment of immunoinflammatory disorders HLA-DRB1, TSLP, SERPINA6 HRH4 675/4885DRD2 3053/4885CHRM1 3915/4885
US-20090075951-A1 Methods and Reagents for the Treatment of Inflammatory Disorders IL5, TNF, LTC4S HRH4 159/4885DRD2 3820/4885CHRM1 3454/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP HRH4 354/4885DRD2 4506/4885CHRM1 4670/4885

“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.