SCHEMBL6084864

SCHEMBL6084864

O=C(COc1ccc(OC(F)(F)F)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43

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
SCHEMBL3323184 0.82 RAB9A (0.51) HSP90AA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL3328507 0.81 ALDH1A1 (0.52) HSP90AA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL3323551 0.80 HSP90AA1 (0.56) HSP90AA1MEN1KMT2ARAB9ACNR2
SCHEMBL3322896 0.80 HSP90AA1 (0.59) HSP90AA1RAB9AALDH1A1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL6084461 0.79 POLB (0.54) ALDH1A1KDM4EL3MBTL1CNR2EPHX2
SCHEMBL13333535 0.79 MEN1 (0.55) HSP90AA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL3322188 0.79 ALDH1A1 (0.49) HSP90AA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL3323745 0.78 MEN1 (0.50) HSP90AA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL13333545 0.77 MEN1 (0.56) HSP90AA1MEN1KMT2ARAB9AALDH1A1
SCHEMBL13949911 0.76 LMNA (0.46) HSP90AA1MEN1KMT2ARAB9AALDH1A1

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
EP-1037878-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-09-27 EP claimed
WO-1999026927-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed
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

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 HSP90AA1 2835/4885MEN1 3259/4885KMT2A 2004/4885

“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.