SCHEMBL8167649

SCHEMBL8167649

CC1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.84
NPC1 O15118 4/20 0.84
KMT2A Q03164 3/20 0.84
MEN1 O00255 2/20 0.84
SMN1; SMN2 Q16637 2/20 0.84
SMYD3 Q9H7B4 2/20 0.73
TRPM8 Q7Z2W7 1/20 0.61
CYP46A1 Q9Y6A2 1/20 0.59
CNR1 P21554 1/20 0.56
CNR2 P34972 1/20 0.56
GRM5 P41594 1/20 0.56
ATR Q13535 1/20 0.56
LMNA P02545 1/20 0.56
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSK P43235 1/20 0.54
TSHR P16473 1/20 0.53
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52

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
SCHEMBL517808 0.94 NPC1 (0.72) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2979351 0.92 RAB9A (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL13649854 0.90 NPC1 (0.67) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL12425958 0.90 NPC1 (0.67) RAB9ANPC1KMT2AMEN1SMN1; SMN2
Methyl Alcohol SCHEMBL11518098 0.89 NPC1 (0.65) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL517500 0.88 NPC1 (0.65) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL8161568 0.85 NPC1 (0.87) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL23575862 0.84 SMYD3 (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL19701285 0.84 SMYD3 (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2983895 0.84 NPC1 (0.84) RAB9ANPC1KMT2AMEN1SMN1; 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 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 RAB9A 3119/4885NPC1 2371/4885KMT2A 904/4885

“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.