SCHEMBL3077593

SCHEMBL3077593

O=C(CCOc1ccc(Br)cc1)N1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
DRD2 P14416 8/20 0.52
DRD3 P35462 4/20 0.52
HTR2A P28223 4/20 0.52
HTR1A P08908 3/20 0.51
ADAMTS5 Q9UNA0 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
IGF1R P08069 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 3/20 0.48
PPARG P37231 1/20 0.48
NR2E3 Q9Y5X4 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL30794949 1.00 MAPT (0.54) MAPTDRD2DRD3HTR2AHTR1A
SCHEMBL3084950 0.90 NPC1 (0.60) MAPTDRD2DRD3HTR2AHTR1A
SCHEMBL3084891 0.89 MAPT (0.55) MAPTDRD2DRD3HTR2AHTR1A
SCHEMBL3086698 0.85 DRD2 (0.56) DRD2DRD3HTR2AHTR1AADAMTS5
SCHEMBL3080735 0.83 DRD2 (0.52) MAPTDRD2DRD3HTR2AHTR1A
SCHEMBL3081851 0.82 NPC1 (0.65) MAPTADAMTS5NPC1RAB9ASMN1; SMN2
SCHEMBL30795903 0.82 NPC1 (0.65) MAPTADAMTS5NPC1RAB9ASMN1; SMN2
SCHEMBL28972664 0.79 ADAMTS5 (0.61) MAPTDRD2DRD3HTR2AADAMTS5
SCHEMBL3083665 0.77 MAPT (0.51) MAPTDRD2DRD3NPC1RAB9A
SCHEMBL3090175 0.76 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US claimed
EP-2164837-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2010-03-24 EP claimed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO 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

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

For each of this compound's patents that has machine-readable text (1 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 MAPT 1435/4885DRD2 338/4885DRD3 622/4885

“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.