SCHEMBL6084112

SCHEMBL6084112

CC1CCC(NC(=O)c2ccnc3ccccc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.65
▸ TP53 P04637 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ DRD2 P14416 6/20 0.51
▸ DRD3 P35462 6/20 0.51
▸ HTR2A P28223 5/20 0.51
▸ HTR1A P08908 3/20 0.51
▸ DRD4 P21917 3/20 0.51
▸ HTR2C P28335 3/20 0.51
▸ HTR2B P41595 3/20 0.51
▸ FAP Q12884 1/20 0.51
▸ DRD1 P21728 1/20 0.51
▸ KAT2B Q92831 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ TAS1R2 Q8TE23 1/20 0.50

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
SCHEMBL6084104 1.00 RAB9A (0.65) RAB9ATP53SMN1; SMN2NPC1CNR1
SCHEMBL2752539 0.88 RAB9A (0.62) RAB9ASMN1; SMN2NPC1MAPTFAP
SCHEMBL5024303 0.86 RAB9A (0.51) RAB9ASMN1; SMN2DRD2DRD3HTR2A
SCHEMBL27882705 0.84 DRD2 (0.51) RAB9ASMN1; SMN2DRD2DRD3HTR2A
SCHEMBL27882706 0.84 DRD2 (0.51) RAB9ASMN1; SMN2DRD2DRD3HTR2A
SCHEMBL228810 0.83 DRD3 (0.55) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL228811 0.83 DRD3 (0.55) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL227557 0.82 DRD3 (0.54) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL226200 0.82 DRD3 (0.54) DRD2DRD3HTR2AHTR1ADRD4
SCHEMBL3087229 0.82 DRD3 (0.54) CNR1CNR2DRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 1751/4885TP53 4845/4885SMN1; SMN2 332/4885

“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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