SCHEMBL6084689

SCHEMBL6084689

O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc2ncccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.58
HTT P42858 1/20 0.58
PLK1 P53350 1/20 0.48
DOT1L Q8TEK3 1/20 0.46
CYP19A1 P11511 4/20 0.43
CYP17A1 P05093 3/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
HTR3A P46098 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL6084200 0.84 MGAM (0.51) CYP19A1CYP17A1NPC1POLBRAB9A
SCHEMBL6083838 0.82 ALOX15 (0.54) ALOX15HTTPLK1DOT1LHTR3A
SCHEMBL22822742 0.81 HSP90AA1 (0.46) ALOX15NPC1RAB9AHSP90AA1CKS1B
SCHEMBL6085817 0.78 CNR2 (0.60) ALOX15HTTPLK1POLBHTR3A
SCHEMBL8129733 0.76 HSP90AA1 (0.48) CYP19A1CYP17A1RAB9AHSP90AA1CKS1B
SCHEMBL25294487 0.75 HTT (0.74) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL30718649 0.74 ALOX15 (1.00) ALOX15HTTPLK1DOT1LCYP19A1
SCHEMBL25255693 0.74 HTT (0.72) ALOX15HTTPLK1DOT1LNPC1
SCHEMBL265015 0.74 ALOX15 (1.00) ALOX15HTTPLK1DOT1LCYP19A1
SCHEMBL26240670 0.74 CES2 (0.44) ALOX15NPC1RAB9AHSP90AA1CKS1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349044-A Aromatic amine derivative synthesized by deconstruction of azaarene, and method and application thereof 华南理工大学 2020-06-30 CN 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
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 ALOX15 2314/4885HTT 338/4885PLK1 1360/4885

“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.