SCHEMBL3083321

SCHEMBL3083321

O=C(CCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
LMNA P02545 1/20 0.71
NPSR1 Q6W5P4 1/20 0.71
HTR1A P08908 2/20 0.66
HTR7 P34969 2/20 0.66
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 2/20 0.63
GAA P10253 1/20 0.63
POLB P06746 1/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HSD17B10 Q99714 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
SCHEMBL30528252 0.90 MAPT (0.86) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL4383007 0.90 MAPT (0.58) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL3090713 0.90 POLB (0.77) MAPTLMNANPSR1HTR1AALDH1A1
Hydrochloric Acid SCHEMBL4376006 0.89 MAPT (0.57) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL27786793 0.85 MAPT (0.78) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL4382306 0.83 MAPT (0.55) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL3070168 0.82 HTR1A (0.69) MAPTLMNAHTR1AHTR7MEN1
SCHEMBL7169669 0.82 ALDH1A1 (0.63) MAPTKMT2AALDH1A1GAANPC1
SCHEMBL28135156 0.82 MAPT (0.78) MAPTLMNANPSR1HTR1AHTR7
Hydrochloric Acid SCHEMBL4377741 0.82 MAPT (0.54) MAPTLMNANPSR1HTR1AHTR7

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 MAPT 1435/4885LMNA 4786/4885NPSR1 544/4885

“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.