SCHEMBL6083899

SCHEMBL6083899

C[C@H]1CC[C@H](NC(=O)c2ccc3ccccc3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
RAB9A P51151 7/20 0.54
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HTR7 P34969 3/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
CD38 P28907 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL6083909 1.00 HDAC8 (0.55) HDAC8RAB9ANPC1ALDH1A1MAPT
SCHEMBL19701288 0.86 ALDH1A1 (0.57) HDAC8RAB9ANPC1ALDH1A1MAPT
SCHEMBL21489934 0.86 ALDH1A1 (0.57) HDAC8RAB9ANPC1ALDH1A1MAPT
SCHEMBL3457004 0.86 HDAC8 (0.58) HDAC8RAB9ANPC1ALDH1A1MAPT
SCHEMBL22449386 0.86 HDAC8 (0.58) HDAC8RAB9ANPC1ALDH1A1MAPT
SCHEMBL62928 0.83 HDAC8 (0.55) HDAC8RAB9ANPC1ALDH1A1MAPT
SCHEMBL17595041 0.83 HDAC8 (0.55) HDAC8RAB9ANPC1ALDH1A1MAPT
SCHEMBL6085524 0.82 RAB9A (0.53) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6083629 0.82 RAB9A (0.53) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6083620 0.82 RAB9A (0.53) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2

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 7 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 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
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 HDAC8 1676/4885RAB9A 1751/4885NPC1 559/4885

“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.