SCHEMBL990965

SCHEMBL990965

O=C(CCC(=O)c1ccccc1)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.44
CCR2 P41597 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
EPHX2 P34913 1/20 0.40
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAPT P10636 1/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL16390663 0.87 EPHX2 (0.53) GRM5THRBHPGDEPHX2KMT2A
SCHEMBL990289 0.87 EPHX2 (0.53) GRM5THRBHPGDEPHX2KMT2A
SCHEMBL990340 0.83 L3MBTL1 (0.59) GRM5L3MBTL1KMT2ANPC1RAB9A
SCHEMBL991436 0.82 KDM4E (0.49) GRM5THRBHPGDKMT2ARAB9A
SCHEMBL3772781 0.82 KDM4E (0.49) GRM5THRBHPGDKMT2ARAB9A
SCHEMBL990846 0.81 NPC1 (0.46) GRM5EPHX2KMT2ANPC1
SCHEMBL4722043 0.81 PLAAT3 (0.44) GRM5L3MBTL1THRBHPGDEPHX2
SCHEMBL990794 0.80 MDM2 (0.41) GRM5L3MBTL1THRBHPGDEPHX2
SCHEMBL990909 0.80 GRM5 (0.45) GRM5L3MBTL1THRBHPGDEPHX2
SCHEMBL4656000 0.79 HPGD (0.55) GRM5L3MBTL1HPGDKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2826478-A1 COMBINATIONS COMPRISING MGLUR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2015-01-21 EP disclosed
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
EP-2211859-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2010-08-04 EP disclosed
US-20100099682-A1 ACETYLENE DERIVATIVES NOVARTIS AG 2010-04-22 US disclosed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 US disclosed
WO-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 WO disclosed
WO-2009047296-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OP PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-04-16 WO disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 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-20100099682-A1 ACETYLENE DERIVATIVES NAT1, NAT10, F12 GRM5 3794/4885CCR2 2085/4885L3MBTL1 4519/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 GRM5 3794/4885CCR2 2085/4885L3MBTL1 4519/4885

“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.