SCHEMBL6085357

SCHEMBL6085357

O=C(CSc1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
LMNA P02545 5/20 0.53
PTGES O14684 1/20 0.52
HSD11B1 P28845 2/20 0.44
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MEN1 O00255 1/20 0.40
STAT6 P42226 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL7418155 0.80 KDM4E (0.60) ALDH1A1LMNAPTGESHPGDMAPT
Hydrochloric Acid SCHEMBL6093193 0.79 KDM4E (0.59) ALDH1A1LMNAPTGESHPGDMAPT
SCHEMBL6084644 0.77 ALDH1A1 (0.52) ALDH1A1LMNAPTGESHSD11B1KDM4E
SCHEMBL6084262 0.77 ALDH1A1 (0.54) ALDH1A1LMNAPTGESHSD11B1HPGD
SCHEMBL6083958 0.74 ALDH1A1 (0.49) ALDH1A1LMNAPTGESHSD11B1HPGD
SCHEMBL1770030 0.73 PTGES (0.52) ALDH1A1LMNAPTGESHSD11B1HPGD
SCHEMBL3077714 0.73 MEN1 (0.61) ALDH1A1HPGDGAAKDM4ERXFP1
SCHEMBL1770115 0.71 ALDH1A1 (0.54) ALDH1A1LMNAPTGESHSD11B1HPGD
SCHEMBL7243491 0.71 ALDH1A1 (0.56) ALDH1A1LMNAPTGESHSD11B1HPGD
SCHEMBL8755398 0.71 MMP3 (0.49) LMNAHPGDMAPTKDM4EKMT2A

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
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 ALDH1A1 2532/4885LMNA 4384/4885PTGES 827/4885

“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.