SCHEMBL513254

SCHEMBL513254

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.45
GRM5 P41594 1/20 0.43
UTRN P46939 2/20 0.40
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
TRPM8 Q7Z2W7 4/20 0.38
HDAC1 Q13547 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NOTUM Q6P988 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MET P08581 1/20 0.35
HAVCR2 Q8TDQ0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPN P05981 1/20 0.35

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
SCHEMBL513092 0.87 NPC1 (0.46) TP53GRM5HDAC1RAB9ANPC1
SCHEMBL512771 0.86 RAB9A (0.49) UTRNPPARGPPARDPPARAHDAC1
SCHEMBL513589 0.86 NPC1 (0.47) TP53GRM5RAB9ANPC1SMN1; SMN2
SCHEMBL513204 0.85 HDAC6 (0.44) TP53HDAC1RAB9ANPC1SMN1; SMN2
SCHEMBL513366 0.84 RAB9A (0.52) TP53GRM5RAB9ANPC1SMN1; SMN2
SCHEMBL513221 0.80 CHRNB2 (0.49) TP53RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL513425 0.79 NPC1 (0.45) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL512093 0.77 NPC1 (0.41) TP53RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL512821 0.76 CA2 (0.41) PPARARAB9ANPC1KDM4EALDH1A1
SCHEMBL513461 0.76 CCR1 (0.37) TP53GRM5RAB9ANPC1SMN1; SMN2

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 TP53 4779/4885GRM5 2/4885UTRN 121/4885

“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.