SCHEMBL1193545

SCHEMBL1193545

OCCN1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 1.00
DRD3 P35462 15/20 1.00
DRD4 P21917 5/20 0.63
HTR2A P28223 1/20 0.59
DRD5 P21918 1/20 0.56
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
SLC6A3 Q01959 1/20 0.55
OPRM1 P35372 1/20 0.55

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
SCHEMBL1193607 0.91 DRD2 (0.83) DRD2DRD3DRD4HTR2ASLC6A2
Hydrochloric Acid SCHEMBL5366724 0.89 DRD2 (0.81) DRD2DRD3DRD4HTR2ASLC6A2
SCHEMBL1193610 0.89 DRD2 (0.81) DRD2DRD3DRD4HTR2ASLC6A2
SCHEMBL9565812 0.88 DRD2 (0.79) DRD2DRD3
SCHEMBL14494921 0.87 DRD2 (0.77) DRD2DRD3DRD4HTR2ADRD5
SCHEMBL14494936 0.85 DRD2 (0.74) DRD2DRD3DRD4HTR2ADRD5
SCHEMBL11745974 0.84 DRD2 (0.73) DRD2DRD3HTR2ASLC6A4
SCHEMBL2782258 0.84 DRD2 (1.00) DRD2DRD3DRD4HTR2ADRD5
SCHEMBL1896873 0.84 DRD2 (0.72) DRD2DRD3DRD4HTR2ADRD5
SCHEMBL14494878 0.83 DRD2 (0.76) DRD2DRD3DRD4HTR2ASLC6A2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220060-B1 TETRAHYDROBENZOTHIAZOLE DERIVATIVES MOTAC NEUROSCIENCE LTD (GB) 2016-09-14 EP disclosed
US-8389555-B2 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2013-03-05 US disclosed
US-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 US disclosed
EP-2220060-A1 MEDICAMENTS Motac Neuroscience Limited (GB) 2010-08-25 EP disclosed
WO-2009056805-A1 MEDICAMENTS MOTAC NEUROSCIENCE LIMITED (GB) 2009-05-07 WO disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US disclosed
EP-0094159-B1 DIHYDROPYRIDINE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-03-14 EP disclosed
US-4892875-A HYPOTENSIVE, RENAL VASODILATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed
EP-0094159-A1 Dihydropyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-16 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 (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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 DRD2 2/4885DRD3 3/4885DRD4 4/4885
US-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 DRD2 16/4885DRD3 41/4885DRD4 40/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 DRD2 2/4885DRD3 3/4885DRD4 4/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 DRD2 2/4885DRD3 3/4885DRD4 4/4885

“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.