SCHEMBL6084359

SCHEMBL6084359

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
P2RX2 Q9UBL9 1/20 0.48
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
FAAH O00519 1/20 0.48
CNR2 P34972 1/20 0.48
LMNA P02545 1/20 0.47
EPHX2 P34913 1/20 0.46
HSD11B1 P28845 2/20 0.44
PTGES O14684 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TP53 P04637 1/20 0.42

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
SCHEMBL6084415 0.84 P2RX7 (0.51) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6085737 0.81 ALDH1A1 (0.50) ALDH1A1MAPTCNR2LMNAEPHX2
SCHEMBL6084367 0.81 CYP1A2 (0.61) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6084262 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL27562982 0.77 MTNR1A (0.57) ALDH1A1SMN1; SMN2MAPTMTNR1AMTNR1B
SCHEMBL3323219 0.76 HSD11B1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL16160333 0.75 MTNR1A (0.62) ALDH1A1SMN1; SMN2MAPTMTNR1AMTNR1B
SCHEMBL10222071 0.75 CYP1A2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AMTNR1A
SCHEMBL6084644 0.74 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMTNR1AMTNR1B
SCHEMBL15741849 0.74 MTNR1A (0.57) SMN1; SMN2MAPTMEN1KMT2AMTNR1A

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 ALDH1A1 2532/4885SMN1; SMN2 332/4885MAPT 471/4885

“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.