SCHEMBL6084702

SCHEMBL6084702

C[C@H]1CC[C@H](NC(=O)c2nc3ccccc3s2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.76
CHRNA7 P36544 2/20 0.58
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CNR1 P21554 3/20 0.56
CNR2 P34972 1/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
CASP1 P29466 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL6084707 1.00 MAOB (0.76) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL19701364 0.87 MAOB (0.76) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL21490032 0.87 MAOB (0.76) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL28932676 0.86 MAOB (1.00) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL19701380 0.83 SMYD3 (0.74) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL21489942 0.83 SMYD3 (0.74) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL30718446 0.80 MAOB (0.69) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL6390013 0.77 MAOB (0.65) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL16535781 0.77 LIPG (0.61) MAOBCHRNA7RAB9ANPC1SMN1; SMN2
SCHEMBL16535779 0.77 LIPG (0.61) MAOBCHRNA7RAB9ANPC1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
EP-1196397-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMA INC (US) 2005-08-17 EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 MAOB 1393/4885CHRNA7 66/4885RAB9A 1751/4885

“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.