SCHEMBL6086214

SCHEMBL6086214

O=C(Oc1ccc2ncccc2c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
XBP1 P17861 1/20 0.55
ALDH1A1 P00352 5/20 0.54
TP53 P04637 3/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 2/20 0.51
ATM Q13315 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 2/20 0.47
PKM P14618 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL30924171 0.83 MAPT (0.65) GAAMAPTXBP1ALDH1A1TP53
SCHEMBL13004858 0.83 MAPT (0.65) GAAMAPTXBP1ALDH1A1TP53
SCHEMBL13004855 0.82 MAPT (0.73) GAAMAPTXBP1ALDH1A1TP53
SCHEMBL6083623 0.78 DHFR (0.42) MAPTALDH1A1TP53LMNAPOLB
SCHEMBL14651295 0.78 MAPT (0.86) GAAMAPTXBP1ALDH1A1TP53
SCHEMBL6985088 0.77 ALDH1A1 (0.67) MAPTALDH1A1TP53POLBMEN1
SCHEMBL5267380 0.75 ALDH1A1 (0.68) MAPTALDH1A1TP53LMNAPOLB
SCHEMBL6084447 0.75 NPC1 (0.60) MAPTALDH1A1TP53POLBMEN1
SCHEMBL27750702 0.75 ALDH1A1 (0.60) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL3161907 0.74 ALDH1A1 (0.71) MAPTALDH1A1TP53LMNAPOLB

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
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
EP-1037878-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-09-27 EP disclosed
WO-1999026927-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-06-03 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 GAA 1029/4885MAPT 471/4885XBP1 2794/4885

“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.