SCHEMBL3070168

SCHEMBL3070168

O=C(CCC(=O)N1CCN(c2ccccc2Cl)CC1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.69
MAPT P10636 4/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
HTR7 P34969 1/20 0.62
GRM5 P41594 1/20 0.57
TSHR P16473 2/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PARP1 P09874 1/20 0.53
AKR1C3 P42330 1/20 0.51
LMNA P02545 1/20 0.51

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 0.82 MAPT (0.71) HTR1AMAPTNPC1RAB9AHTR7
SCHEMBL30794484 0.81 MAPT (0.71) HTR1AMAPTNPC1RAB9ATSHR
SCHEMBL3092053 0.81 MAPT (0.71) HTR1AMAPTNPC1RAB9ATSHR
SCHEMBL3080650 0.81 USP2 (0.76) MAPTADAMTS5POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL6976133 0.81 HTR7 (0.62) HTR1AMAPTNPC1RAB9AHTR7
SCHEMBL3999891 0.81 HTR7 (0.58) MAPTHTR7GRM5TSHRADAMTS5
SCHEMBL7838958 0.79 GRM5 (0.62) HTR1AMAPTRAB9AHTR7GRM5
SCHEMBL21987068 0.79 MEN1 (0.72) HTR1AMAPTRAB9ADRD2POLB
SCHEMBL30795903 0.78 NPC1 (0.65) MAPTNPC1RAB9AHTR7GRM5
SCHEMBL3081851 0.78 NPC1 (0.65) MAPTNPC1RAB9AHTR7GRM5

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 HTR1A 286/4885MAPT 1435/4885NPC1 1352/4885

“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.