SCHEMBL6084367

SCHEMBL6084367

COc1cccc(CSCC(=O)C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
P2RX2 Q9UBL9 1/20 0.47
FAAH O00519 1/20 0.46
CNR2 P34972 1/20 0.46
EPHX2 P34913 1/20 0.45
P2RX7 Q99572 2/20 0.41

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
SCHEMBL3320960 0.85 LMNA (0.44) CYP1A2KMT2AMEN1ALDH1A1MAPT
SCHEMBL6084424 0.85 P2RX7 (0.52) KMT2AMEN1ALDH1A1MAPTP2RX2
SCHEMBL6084359 0.81 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6788100 0.76 CYP1A2 (1.00) CYP1A2KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10048488 0.76 CYP1A2 (0.72) CYP1A2KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6084655 0.76 MEN1 (0.53) KMT2AMEN1ALDH1A1FAAHCNR2
SCHEMBL1770095 0.74 HSD11B1 (0.62) KMT2AMEN1ALDH1A1P2RX7
SCHEMBL3321817 0.73 ALDH1A1 (0.48) CYP1A2KMT2AMEN1ALDH1A1MAPT
SCHEMBL1769928 0.73 CYP17A1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2P2RX7
SCHEMBL3322239 0.73 MEN1 (0.48) KMT2AMEN1ALDH1A1EPHX2

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 8 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

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 CYP1A2 4061/4885KMT2A 2004/4885MEN1 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.