SCHEMBL3081859

SCHEMBL3081859

N#Cc1c(N2CCN(C(=O)CCOc3ccccc3)CC2)cccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.53
RAB9A P51151 6/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 4/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.47
ENPP2 Q13822 3/20 0.46
HSD17B10 Q99714 1/20 0.45
HPGD P15428 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
GFER P55789 1/20 0.43
PKM P14618 1/20 0.42

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
SCHEMBL3077635 0.92 MAPT (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3083799 0.91 GAA (0.45) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3084048 0.90 GAA (0.44) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3095985 0.84 MAPT (0.53) NPC1RAB9AMAPTTSHRKMT2A
SCHEMBL3085560 0.82 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3085630 0.80 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3090175 0.78 MAPT (0.50) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3083665 0.77 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3093363 0.76 MAPT (0.58) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3072135 0.76 MAPT (0.50) NPC1RAB9AMAPTSMN1; 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 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 NPC1 1352/4885RAB9A 503/4885MAPT 1435/4885

“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.