SCHEMBL6085774

SCHEMBL6085774

COc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 1.00
FAAH O00519 8/20 1.00
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
CNR1 P21554 3/20 0.67
P2RX7 Q99572 1/20 0.66
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
ALOX12 P18054 1/20 0.65
HTT P42858 1/20 0.65
ATM Q13315 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HSD17B10 Q99714 1/20 0.65
EPHX2 P34913 1/20 0.64
PKM P14618 1/20 0.61

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
SCHEMBL30848467 0.94 CNR2 (0.89) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL2637643 0.87 CNR2 (0.76) CNR2FAAHMEN1KMT2ACNR1
SCHEMBL6084569 0.80 P2RX7 (1.00) CNR2FAAHMEN1KMT2AP2RX7
SCHEMBL15121240 0.79 TSHR (1.00) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL10928771 0.79 KDM4E (0.72) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL31191005 0.79 TSHR (1.00) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL30848679 0.78 CNR2 (0.64) CNR2FAAHMAPTHPGDTSHR
SCHEMBL1150620 0.78 KDM4E (0.70) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL3709144 0.78 KDM4E (0.70) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL19747509 0.78 KDM4E (0.70) CNR2FAAHCNR1KDM4EALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1554649-A Metabotropic glutamate receptor antagonists for treating central nervous system diseases NPSҩ�����޹�˾ 2004-12-15 CN claimed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US claimed
CN-1285820-A Metabotropic glutamate receptor antagonists for the treatment of central nervous system disorders NPS PHARMA INC (US) 2001-02-28 CN 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
CN-1554649-A Metabotropic glutamate receptor antagonists for treating central nervous system diseases NPSҩ�����޹�˾ 2004-12-15 CN disclosed
CN-1158264-C Metabotropic glutamate receptor antagonists for the treatment of central nervous system disorders NPSҩ�����޹�˾ 2004-07-21 CN 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
CN-1285820-A Metabotropic glutamate receptor antagonists for the treatment of central nervous system disorders NPS PHARMA INC (US) 2001-02-28 CN 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 CNR2 123/4885FAAH 445/4885MEN1 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.