SCHEMBL6085332

SCHEMBL6085332

C[C@H]1CC[C@H](NC(=O)c2cccc3cccnc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.58
CNR1 P21554 7/20 0.58
TNKS O95271 2/20 0.56
TNKS2 Q9H2K2 2/20 0.56
MAPT P10636 1/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL7736408 1.00 CNR2 (0.58) CNR2CNR1TNKSTNKS2MAPT
SCHEMBL16456355 0.86 TNKS (0.53) CNR2CNR1TNKSTNKS2MAPT
SCHEMBL16455932 0.86 TNKS (0.53) CNR2CNR1TNKSTNKS2MAPT
SCHEMBL7691769 0.86 EGLN1 (0.56) CNR2CNR1MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL23360011 0.83 PARP1 (0.52) CNR2CNR1TNKSTNKS2NPC1
SCHEMBL16455989 0.82 RAB9A (0.53) CNR2CNR1NPC1RAB9ATAS1R3
SCHEMBL23360426 0.81 TNKS (0.53) CNR2CNR1TNKSTNKS2NPC1
SCHEMBL6206147 0.78 NPC1 (0.57) CNR2CNR1NPC1RAB9A
SCHEMBL6206149 0.78 NPC1 (0.57) CNR2CNR1NPC1RAB9A
SCHEMBL23360639 0.77 PARP1 (0.59) MAPT

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
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 US disclosed
US-9340549-B2 Oxazolidinone compounds and derivatives thereof AMGEN INC. (US) 2016-05-17 US disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 US disclosed
US-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. 2015-02-12 US 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
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP 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 (2 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-20150045368-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF TNKS1BP1, TNKS, TBKBP1 CNR2 4841/4885CNR1 4834/4885TNKS 2/4885
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 CNR2 123/4885CNR1 91/4885TNKS 3729/4885

“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.