SCHEMBL512771

SCHEMBL512771

CCC(CC)(c1noc(-c2cccc(C(F)(F)F)c2)n1)P(=O)(O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.44
UTRN P46939 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NOTUM Q6P988 2/20 0.40

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
SCHEMBL513254 0.86 TP53 (0.45) RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL513092 0.85 NPC1 (0.46) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL513589 0.84 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL513204 0.83 HDAC6 (0.44) RAB9ANPC1NR1H4ALDH1A1KDM4E
SCHEMBL513366 0.82 RAB9A (0.52) RAB9ANPC1NPSR1ALDH1A1KDM4E
SCHEMBL513221 0.78 CHRNB2 (0.49) RAB9ANPC1NPSR1ALDH1A1KDM4E
SCHEMBL77275 0.78 RAB9A (0.60) RAB9ANPC1NPSR1NR1H4ALDH1A1
SCHEMBL513425 0.77 NPC1 (0.45) RAB9ANPC1NPSR1ALDH1A1GAA
SCHEMBL512093 0.75 NPC1 (0.41) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL29024551 0.74 PGK1 (0.53) NPSR1ALDH1A1HDAC1PTPN5PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-02-02 US 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-20120028931-A1 HETEROCYCLIC M-GLU5 ANTAGONISTS OPRM1, GRM5, OPRD1 RAB9A 2058/4885NPC1 4017/4885NPSR1 99/4885

“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.