SCHEMBL2903787

SCHEMBL2903787

CN[C@@H](C)c1cc(-c2cccc(C)c2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
RAB9A P51151 11/20 0.40
MLLT1 Q03111 1/20 0.40
NPC1 O15118 8/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PLK1 P53350 1/20 0.39
PLK2 Q9NYY3 1/20 0.39
TP53 P04637 4/20 0.38
MAPT P10636 2/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL17788469 0.84 GRM5 (0.45) GRM5RAB9AMLLT1NPC1SMN1; SMN2
SCHEMBL13871020 0.84 MAPK1 (0.48) GRM5RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL2896497 0.84 MAPK1 (0.48) GRM5RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL2959581 0.81 GRM5 (0.43) GRM5RAB9AMLLT1NPC1SMN1; SMN2
SCHEMBL3103383 0.81 GRM5 (0.43) GRM5RAB9AMLLT1NPC1SMN1; SMN2
SCHEMBL2962439 0.81 GRM5 (0.43) GRM5RAB9AMLLT1NPC1SMN1; SMN2
SCHEMBL4100659 0.75 GRM5 (0.37) GRM5RAB9AMLLT1NPC1SMN1; SMN2
SCHEMBL12266910 0.75 CSF1R (0.49) RAB9ANPC1SMN1; SMN2TSHRKMT2A
SCHEMBL2915994 0.75 RAB9A (0.40) GRM5RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL3110799 0.73 GRM5 (0.48) GRM5RAB9AMLLT1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885RAB9A 1234/4885MLLT1 2895/4885

“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.