SCHEMBL1381608

SCHEMBL1381608

Clc1ccc(C(c2ccccc2)N2CC[N]CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.66
KCNH2 Q12809 4/20 0.66
SLC6A2 P23975 3/20 0.66
SLC6A4 P31645 3/20 0.66
SLC6A3 Q01959 3/20 0.66
CHRM2 P08172 3/20 0.66
ADRA2A P08913 3/20 0.66
ADRA1A P35348 3/20 0.66
HTR1A P08908 2/20 0.66
CHRM1 P11229 2/20 0.66
DRD1 P21728 2/20 0.66
TBXA2R P21731 2/20 0.66
BCL2 P10415 1/20 0.66
HRH3 Q9Y5N1 1/20 0.66
CYP2D6 P10635 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
TSHR P16473 1/20 0.64
CYP2C19 P33261 1/20 0.64
OPRM1 P35372 3/20 0.59
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9253409 0.93 CYP2D6 (0.61) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL42119 0.89 OPRM1 (0.59) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL7668121 0.87 CHRM2 (0.83) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL11354393 0.85 OPRM1 (0.60) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL9256149 0.83 OPRM1 (0.55) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL9252844 0.83 OPRM1 (0.57) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL9250178 0.82 KCNH2 (0.52) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6824843 0.82 CYP2D6 (0.71) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL13309488 0.82 CYP2D6 (0.71) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL13309489 0.82 CYP2D6 (0.71) DRD3KCNH2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601674-B1 Hydroxyalkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2012-08-08 EP claimed
JP-4712384-B2 2011-06-29 JP claimed
EP-1601674-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-07 EP claimed
US-6967199-B2 Substituted diamine derivatives useful as motilin antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-11-22 US claimed
US-20040142955-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-07-22 US claimed
WO-2004022558-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder JOHNSON SIGMONG G (US) 2003-10-30 US claimed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-31 US claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US claimed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-8778956-B2 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2014-07-15 US disclosed
EP-1601674-B1 Hydroxyalkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1 receptor mediated disorders JANSSEN PHARMACEUTICA NV (BE) 2012-08-08 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-5925642-A ANTITUMOR, ANTIMETASTASIS AGENTS; DRUG RESISTANCE MODULATORS; SYNERGISTIC MIXTURES WITH ANTIBIOTICS AND CYTOSTATIC AGENTS; SIDE EFFECT REDUCTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-07-20 US disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 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 (3 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-20040142955-A1 Hydroxy alkyl substituted 1,3,8-triazaspiro[4.5]decan-4-one derivatives useful for the treatment of ORL-1receptor mediated disorders OPRL1, GPR4, ADRA1D DRD3 111/4885KCNH2 2149/4885SLC6A2 642/4885
US-20020013352-A1 For therapy of gastrointestinal reflux disorders, eating disorders leading to obesity and irritable bowel disorder MLNR, GIPR, NPY1R DRD3 68/4885KCNH2 4359/4885SLC6A2 915/4885
US-20030203906-A1 A phenylamide derivatives for treating gastrointestinal reflux disorders, eating disorder obesity and irritable bowel disorder MLNR, GIPR, NPY1R DRD3 105/4885KCNH2 4003/4885SLC6A2 889/4885

“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.