SCHEMBL3095707

SCHEMBL3095707

Fc1ccc(N2CCNCC2)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.56
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
HTR1A P08908 5/20 0.49
HTR2A P28223 4/20 0.49
HTR2C P28335 3/20 0.49
DRD4 P21917 1/20 0.49
HTR3A P46098 6/20 0.48
HTR3E A5X5Y0 3/20 0.48
HTR3B O95264 3/20 0.48
HTR3D Q70Z44 3/20 0.48
HTR3C Q8WXA8 3/20 0.48
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2B P41595 3/20 0.43
HTR7 P34969 3/20 0.43

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
Hydrochloric Acid SCHEMBL5383409 0.98 ADRB1 (0.54) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL5217519 0.84 ADRB1 (0.51) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL21996080 0.84 ADRB1 (0.56) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL5365109 0.84 ADRB1 (0.69) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL30839788 0.84 ADRB1 (0.69) ADRB1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL5373883 0.83 ADRB1 (0.50) ADRB1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL29176265 0.82 ADRB1 (0.67) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL29772851 0.80 HTR3A (0.55) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL234944 0.80 HTR3A (0.55) ADRB1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL27635424 0.79 ADRB1 (0.46) ADRB1DRD2DRD3HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
EP-2164837-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2010-03-24 EP disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO disclosed
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP 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
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20100227870-A1 Novel Compounds GRM5, GRIK5, GRM1 ADRB1 213/4885DRD2 338/4885DRD3 622/4885
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD3 3/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD3 3/4885
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 ADRB1 404/4885DRD2 8/4885DRD3 25/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD3 3/4885

“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.