SCHEMBL6084790

SCHEMBL6084790

O=C(CSc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.61
▸ APEX1 P27695 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ MAPT P10636 6/20 0.59
▸ HSD11B1 P28845 1/20 0.55
▸ CNR1 P21554 2/20 0.55
▸ ALDH1A1 P00352 9/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ ALOX5 P09917 1/20 0.54
▸ HPGD P15428 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ GAA P10253 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ALPL P05186 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ GCGR P47871 1/20 0.53

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
SCHEMBL1286369 0.76 POLB (0.79) POLBAPEX1RECQLMAPTALDH1A1
Benzene SCHEMBL28322799 0.76 POLB (0.79) POLBAPEX1RECQLMAPTALDH1A1
SCHEMBL7243491 0.75 ALDH1A1 (0.56) MAPTHSD11B1ALDH1A1CYP1A2CYP2C19
SCHEMBL5401249 0.74 POLB (0.77) POLBAPEX1RECQLMAPTALDH1A1
SCHEMBL2261407 0.74 POLB (0.77) POLBAPEX1RECQLMAPTALDH1A1
SCHEMBL13629728 0.74 MAPT (1.00) POLBAPEX1RECQLMAPTALDH1A1
SCHEMBL10759553 0.73 POLB (0.75) POLBAPEX1RECQLMAPTALDH1A1
SCHEMBL13461102 0.72 POLB (0.83) POLBAPEX1RECQLMAPTALDH1A1
SCHEMBL10404194 0.72 POLB (0.73) POLBAPEX1RECQLMAPTALDH1A1
SCHEMBL10404196 0.72 POLB (0.73) POLBAPEX1RECQLMAPTALDH1A1

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 POLB 4133/4885APEX1 4555/4885RECQL 3746/4885

“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.

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