SCHEMBL8162012

SCHEMBL8162012

C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HPGDS O60760 1/20 0.55
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.53
TAOK1 Q7L7X3 1/20 0.52
TAOK3 Q9H2K8 1/20 0.52
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 2/20 0.52
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
GRIA4 P48058 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
SCHEMBL5709362 0.90 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2481230 0.90 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6196126 0.86 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL6196129 0.86 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL18082335 0.85 NPC1 (0.71) NPC1RAB9ASMN1; SMN2EPHX2NR1H4
SCHEMBL15090036 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2EPHX2NR1H4
SCHEMBL16373032 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2EPHX2NR1H4
SCHEMBL15087731 0.84 NPC1 (0.65) NPC1RAB9ASMN1; SMN2EPHX2NR1H4
SCHEMBL3057455 0.84 TACR1 (0.60) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL3641034 0.84 FFAR1 (0.56) NPC1RAB9ASMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME DEPARTMENT OF VETERANS AFFAIRS 2009-02-12 US disclosed
WO-2008151184-A1 BENZAMIDE MGLUR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY (US) 2008-12-11 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-20090042855-A1 BENZAMIDE mGluR5 POSITIVE ALLOSTERIC MODULATORS AND METHODS OF MAKING AND USING SAME GRM5, GRIK5, GRM3 NPC1 2371/4885RAB9A 3119/4885SMN1; SMN2 2385/4885

“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.