SCHEMBL3090713

SCHEMBL3090713

O=C(CCC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.77
MAPT P10636 4/20 0.73
ALDH1A1 P00352 1/20 0.68
HPGD P15428 1/20 0.68
HSD17B10 Q99714 1/20 0.68
HTT P42858 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
GFER P55789 1/20 0.66
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
LMNA P02545 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
HTR1A P08908 1/20 0.62
GAA P10253 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 1/20 0.59
RAD52 P43351 1/20 0.58

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
SCHEMBL3083321 0.90 MAPT (0.71) POLBMAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3095802 0.84 MAPT (1.00) POLBMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL30528252 0.84 MAPT (0.86) MAPTALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL10015690 0.81 ALDH1A1 (0.86) POLBMAPTALDH1A1HPGDHSD17B10
SCHEMBL4383007 0.81 MAPT (0.58) POLBMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL5505886 0.81 HTR1A (0.69) POLBMAPTALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL4376006 0.80 MAPT (0.57) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL6234537 0.80 DRD2 (0.77) POLBALDH1A1SMN1; SMN2LMNAHTR1A
SCHEMBL11792815 0.80 HTT (0.73) POLBMAPTALDH1A1HPGDHSD17B10
SCHEMBL4382306 0.80 MAPT (0.55) POLBMAPTALDH1A1SMN1; SMN2LMNA

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 6 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
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 POLB 4651/4885MAPT 1435/4885ALDH1A1 3874/4885

“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.