SCHEMBL6084200

SCHEMBL6084200

O=C(OC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.51
CHRNB2 P17787 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
CFTR P13569 1/20 0.42
HPGDS O60760 1/20 0.42
CYP17A1 P05093 3/20 0.41
CYP19A1 P11511 3/20 0.41
BCAT1 P54687 1/20 0.40
TOP2A P11388 1/20 0.40
TOP2B Q02880 1/20 0.40
DPP4 P27487 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 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
SCHEMBL6084689 0.84 ALOX15 (0.58) CYP17A1CYP19A1BCAT1HSP90AA1CKS1B
SCHEMBL22822742 0.80 HSP90AA1 (0.46) HSP90AA1CKS1BSKP1SKP2NPC1
SCHEMBL6083476 0.79 ALDH1A1 (0.49) CYP17A1CYP19A1NPC1ALDH1A1LMNA
SCHEMBL6085211 0.77 FAAH (0.59) MGAMHPGDSNPC1ALDH1A1LMNA
SCHEMBL11575818 0.76 FAAH (0.51) CYP17A1CYP19A1HSP90AA1CKS1BSKP1
SCHEMBL9715583 0.76 MGAM (0.69) MGAMCHRNB2CHRNA7CHRNA4CFTR
SCHEMBL5511161 0.75 MGAM (0.49) MGAMCHRNB2CHRNA7CHRNA4CFTR
SCHEMBL29281919 0.74 MGAM (0.67) MGAMCHRNB2CHRNA7CHRNA4CFTR
SCHEMBL8129733 0.74 HSP90AA1 (0.48) CYP17A1CYP19A1HSP90AA1CKS1BSKP1
SCHEMBL29505143 0.73 ALOX15 (0.65) MGAMCHRNB2CHRNA7CHRNA4CFTR

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
CN-1554649-A Metabotropic glutamate receptor antagonists for treating central nervous system diseases NPSҩ�����޹�˾ 2004-12-15 CN 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
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 MGAM 3566/4885CHRNB2 101/4885CHRNA7 66/4885

“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.