SCHEMBL192998

SCHEMBL192998

O=C(O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ATM Q13315 1/20 0.60
GRM3 Q14832 1/20 0.60
GLA P06280 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HSD11B1 P28845 3/20 0.56
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.56
EPHX2 P34913 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GRM5 P41594 1/20 0.53
CLPP Q16740 1/20 0.53
SLC18A3 Q16572 1/20 0.53
NOTUM Q6P988 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
SCHEMBL191835 1.00 NPC1 (0.60) NPC1RAB9AATMGRM3GLA
SCHEMBL5474311 0.88 HSD11B1 (0.68) NPC1RAB9AATMGLAHSD17B10
SCHEMBL5474315 0.88 HSD11B1 (0.68) NPC1RAB9AATMGLAHSD17B10
SCHEMBL3589879 0.87 GLA (0.75) NPC1RAB9AATMGLAHSD17B10
SCHEMBL3589877 0.87 GLA (0.75) NPC1RAB9AATMGLAHSD17B10
SCHEMBL5745620 0.87 HPGD (0.71) HSD17B10ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1520334 0.86 ALDH1A1 (0.64) GRM3GLAHSD17B10ALDH1A1KDM4E
SCHEMBL7232912 0.86 ALDH1A1 (0.64) GRM3GLAHSD17B10ALDH1A1KDM4E
SCHEMBL16442058 0.86 ALDH1A1 (0.64) GRM3GLAHSD17B10ALDH1A1KDM4E
SCHEMBL21928849 0.86 HSD11B1 (0.71) NPC1RAB9AATMHSD11B1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102336749-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-02-01 CN claimed
EP-2030970-A1 Allosteric modulators of metabotropic glutamate receptors ADDEX Pharma S.A. (CH) 2009-03-04 EP claimed
EP-1685105-B1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2008-10-15 EP claimed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US claimed
CN-1898206-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-01-17 CN claimed
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP claimed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 WO claimed
US-8163775-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2012-04-24 US disclosed
CN-102336749-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-02-01 CN disclosed
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-01-26 US disclosed
EP-2030970-B1 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2012-01-04 EP disclosed
US-8030331-B2 Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2011-10-04 US disclosed
CN-1898206-B Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2011-09-14 CN disclosed
US-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2007-09-20 US disclosed
CN-1898206-A Allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-01-17 CN disclosed
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP disclosed
EP-1651635-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 WO disclosed
WO-2005009989-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 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-20070219187-A1 Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM2, GRM1 NPC1 2108/4885RAB9A 1437/4885ATM 4161/4885
US-20120022108-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 NPC1 2108/4885RAB9A 1437/4885ATM 4161/4885
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D NPC1 2186/4885RAB9A 1591/4885ATM 3115/4885

“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.