SCHEMBL10110571

SCHEMBL10110571

CN(C(=O)c1ccc2cccnc2c1)C1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
HSD11B1 P28845 1/20 0.50
TGFBR1 P36897 1/20 0.47
CHRNA7 P36544 3/20 0.43
PDE4B Q07343 1/20 0.43
MAPK14 Q16539 1/20 0.42
SCN9A Q15858 1/20 0.41
GABRA5 P31644 1/20 0.41
SYK P43405 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 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
SCHEMBL562950 0.85 POLB (0.76) POLBNPC1RAB9AHSD11B1TGFBR1
SCHEMBL16735591 0.81 HSD11B1 (0.53) POLBNPC1RAB9AHSD11B1TGFBR1
SCHEMBL4655512 0.78 ALDH1A1 (0.50) POLBCHRNA7MAPK14
SCHEMBL562370 0.78 NPC1 (0.55) POLBNPC1RAB9AHSD11B1TGFBR1
SCHEMBL562298 0.77 NPC1 (0.54) POLBNPC1RAB9AHSD11B1TGFBR1
Hydrochloric Acid SCHEMBL28060875 0.76 ALDH1A1 (0.49) POLBCHRNA7MAPK14
SCHEMBL2355162 0.76 MAPK14 (0.62) CHRNA7PDE4BMAPK14TRPM8
SCHEMBL2144311 0.75 HSD11B1 (0.54) HSD11B1
SCHEMBL7461010 0.74 HSD11B1 (0.55) NPC1RAB9AHSD11B1TGFBR1PDE4B
SCHEMBL28488675 0.73 ALDH1A1 (0.51) POLBNPC1RAB9ACHRNA7

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-20120035173-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC 2012-02-09 US disclosed
US-20120035173-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC 2012-02-09 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-20120035173-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN2A, GRIN2B, SLC18A2 POLB 2514/4885NPC1 1816/4885RAB9A 664/4885

“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.