SCHEMBL6083995

SCHEMBL6083995

O=C(CSc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 2/20 0.51
HSD11B1 P28845 3/20 0.48
P2RX7 Q99572 1/20 0.48
PTGES O14684 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.40
CRBN Q96SW2 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
SCHEMBL3323219 0.86 HSD11B1 (0.52) ALDH1A1L3MBTL1LMNAHSD11B1PTGES
SCHEMBL3318109 0.85 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAHSD11B1P2RX7
SCHEMBL6085737 0.83 ALDH1A1 (0.50) ALDH1A1L3MBTL1LMNAHSD11B1P2RX7
SCHEMBL1770376 0.82 HSD11B1 (0.54) ALDH1A1L3MBTL1LMNAHSD11B1PTGES
SCHEMBL6084415 0.81 P2RX7 (0.51) ALDH1A1LMNAHSD11B1P2RX7SMN1; SMN2
SCHEMBL13949905 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNAHSD11B1PTGES
SCHEMBL3319841 0.79 GAA (0.57) ALDH1A1L3MBTL1LMNAHSD11B1NPC1
SCHEMBL6084262 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNAHSD11B1PTGES
SCHEMBL11678560 0.78 HTT (0.57) ALDH1A1L3MBTL1LMNAHSD11B1P2RX7
SCHEMBL13949720 0.72 RAB9A (0.43) ALDH1A1L3MBTL1LMNAHSD11B1SMN1; SMN2

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 ALDH1A1 2532/4885L3MBTL1 4053/4885LMNA 4384/4885

“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.