SCHEMBL6085448

SCHEMBL6085448

COc1ccccc1OCC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
P2RX7 Q99572 1/20 0.49
FAAH O00519 1/20 0.49
CNR2 P34972 1/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 5/20 0.48
HPGD P15428 2/20 0.48
HSP90AA1 P07900 1/20 0.48
EPHX2 P34913 1/20 0.47
MAPT P10636 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL13352154 0.85 NPC1 (0.54) SMN1; SMN2MEN1KMT2AP2RX7CNR2
SCHEMBL3323990 0.82 MEN1 (0.51) SMN1; SMN2POLBMEN1KMT2AP2RX7
SCHEMBL13320597 0.81 ALDH1A1 (0.57) SMN1; SMN2POLBKMT2AALDH1A1HPGD
SCHEMBL29837014 0.78 KDM4E (0.67) MEN1KMT2AP2RX7FAAHCNR2
SCHEMBL1769982 0.77 HSD11B1 (0.58) SMN1; SMN2MEN1KMT2ACNR2ALDH1A1
SCHEMBL12596467 0.77 ALDH1A1 (0.70) SMN1; SMN2POLBMEN1KMT2AP2RX7
SCHEMBL6084644 0.77 ALDH1A1 (0.52) MEN1KMT2AP2RX7FAAHCNR2
SCHEMBL7419356 0.77 EPHX2 (0.56) MEN1KMT2AP2RX7FAAHCNR2
Hydrochloric Acid SCHEMBL6084502 0.76 EPHX2 (0.55) MEN1KMT2AP2RX7FAAHCNR2
SCHEMBL6084655 0.75 MEN1 (0.53) MEN1KMT2AP2RX7FAAHCNR2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US claimed
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
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
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 SMN1; SMN2 332/4885POLB 4133/4885MEN1 3259/4885

“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.