SCHEMBL990340

SCHEMBL990340

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
GRM5 P41594 16/20 0.57
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL990772 0.93 GRM5 (0.60) L3MBTL1NPC1RAB9AGRM5MEN1
SCHEMBL992253 0.91 GRM5 (0.48) L3MBTL1NPC1RAB9AGRM5MEN1
SCHEMBL4655682 0.91 GRM5 (0.48) L3MBTL1NPC1RAB9AGRM5MEN1
SCHEMBL990824 0.91 GRM5 (0.48) L3MBTL1NPC1RAB9AGRM5MEN1
SCHEMBL2818567 0.91 L3MBTL1 (0.47) L3MBTL1NPC1RAB9AGRM5MEN1
SCHEMBL990125 0.90 GRM5 (0.57) L3MBTL1NPC1RAB9AGRM5
SCHEMBL990869 0.90 GRM5 (0.48) L3MBTL1NPC1RAB9AGRM5MEN1
SCHEMBL992266 0.90 L3MBTL1 (0.46) L3MBTL1NPC1RAB9AGRM5MEN1
SCHEMBL3284072 0.90 GRM5 (0.57) L3MBTL1NPC1RAB9AGRM5
SCHEMBL990840 0.89 GRM5 (0.60) L3MBTL1NPC1RAB9AGRM5MEN1

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 10 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-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 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
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 US disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
EP-1877365-A1 ACETYLENE DERIVATIVES Novartis AG (CH) 2008-01-16 EP disclosed
WO-2006114262-A1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2006-11-02 WO 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 L3MBTL1 4519/4885NPC1 677/4885RAB9A 1938/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 L3MBTL1 4519/4885NPC1 677/4885RAB9A 1938/4885

“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.