SCHEMBL1178682

SCHEMBL1178682

CC(C)N1Cc2cc(-c3cc(C(=O)N4CCCC4)no3)cc(Cl)c2C1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 18/20 0.55
RAB9A P51151 18/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
PIK3CG P48736 1/20 0.54
TP53 P04637 3/20 0.49
TSHR P16473 1/20 0.49
THRB P10828 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KLF5 Q13887 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL1179168 0.92 NPC1 (0.57) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL2996048 0.86 PIK3CG (0.58) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL7968545 0.85 PIK3CG (0.57) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL18863906 0.82 PIK3CG (0.67) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1178306 0.82 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1178624 0.82 PIK3CG (0.67) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL18877818 0.81 PIK3CG (0.65) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL18863909 0.81 PIK3CG (0.65) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL1178858 0.81 PIK3CG (0.57) NPC1RAB9ASMN1; SMN2PIK3CGTSHR
SCHEMBL1178249 0.79 PIK3CG (0.51) NPC1RAB9ASMN1; SMN2HPGDPIK3CG

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148372-B2 Metabotropic glutamate receptor isoxazole ligands and their use as potentiators—286 ASTRAZENECA AB (SE) 2012-04-03 US claimed
EP-2303872-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2011-04-06 EP claimed
US-20100317662-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 CACCIOLA JOSEPH 2010-12-16 US claimed
WO-2009148403-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-12-10 WO claimed
EP-2772492-B1 Use of an isoxazole derivative for the treatment of withdrawal symptom ASTRAZENECA AB (SE) 2016-08-17 EP disclosed
EP-2772492-B1 Use of an isoxazole derivative for the treatment of withdrawal symptom ASTRAZENECA AB (SE) 2016-08-17 EP disclosed
EP-2772492-A1 Use of an isoxazole derivative for the treatment of withdrawal symptom AstraZeneca AB (SE) 2014-09-03 EP disclosed
EP-2772492-A1 Use of an isoxazole derivative for the treatment of withdrawal symptom AstraZeneca AB (SE) 2014-09-03 EP disclosed
EP-2303872-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2014-04-16 EP disclosed
EP-2303872-B1 ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2014-04-16 EP disclosed
US-8148372-B2 Metabotropic glutamate receptor isoxazole ligands and their use as potentiators—286 ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148372-B2 Metabotropic glutamate receptor isoxazole ligands and their use as potentiators—286 ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-7781434-B2 Metabotropic glutamate receptor isoxazole ligands and their use as potentiators—286 ASTRAZENECA AB (SE) 2010-08-24 US disclosed
US-20100022545-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 CACCIOLA JOSEPH 2010-01-28 US disclosed
US-20100022545-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 CACCIOLA JOSEPH 2010-01-28 US disclosed
US-20100022545-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 CACCIOLA JOSEPH 2010-01-28 US disclosed
WO-2009148403-A1 ISOXAZOLE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-12-10 WO disclosed
US-20090306158-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators 286 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306158-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators 286 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
US-20090306158-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators 286 ASTRAZENECA AB (SE) 2009-12-10 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 (3 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-20100022545-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 GRM1, GRM3, GRIN1 NPC1 2154/4885RAB9A 3344/4885SMN1; SMN2 2498/4885
US-20090306158-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators 286 GRM1, GRM3, GRIN1 NPC1 2192/4885RAB9A 3167/4885SMN1; SMN2 2377/4885
US-20100317662-A1 Metabotropic Glutamate Receptor Isoxazole Ligands and Their Use as Potentiators - 286 GRM1, GRM3, GRIN1 NPC1 2154/4885RAB9A 3344/4885SMN1; SMN2 2498/4885

“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.