SCHEMBL991413

SCHEMBL991413

COc1cc(N)c(Cl)cc1C(=O)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.52
DRD4 P21917 4/20 0.51
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ACHE P22303 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR3A P46098 1/20 0.49

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
SCHEMBL991625 0.85 GRM5 (0.49) DRD3
SCHEMBL989512 0.83 GRM5 (0.45)
SCHEMBL990083 0.83 L3MBTL1 (0.47)
SCHEMBL990847 0.82 GRM5 (0.49)
SCHEMBL990999 0.81 GRM5 (0.56)
SCHEMBL990807 0.81 GRM5 (0.52)
SCHEMBL992266 0.80 L3MBTL1 (0.46)
SCHEMBL990822 0.80 NPC1 (0.48)
SCHEMBL1907158 0.80 GRM5 (0.46)
SCHEMBL2815651 0.80 GRM5 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272929-A1 ORGANIC COMPOUNDS UMBRICHT DANIEL (CH) 2015-10-01 US disclosed
EP-2826478-A1 COMBINATIONS COMPRISING MGLUR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2015-01-21 EP disclosed
US-20140194423-A1 COMBINATION PRODUCTS GOMEZ-MANCILLA BALTAZAR (CH) 2014-07-10 US disclosed
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-8703809-B2 Combination products NOVARTIS AG (CH) 2014-04-22 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
US-20120122878-A1 COMBINATION PRODUCTS NOVARTIS AG (CH) 2012-05-17 US disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
US-20100249136-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-30 US 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
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP 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
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 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 (9 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 HTR4 4156/4885DRD4 2076/4885DRD2 1944/4885
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HTR4 184/4885DRD4 462/4885DRD2 318/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HTR4 172/4885DRD4 420/4885DRD2 268/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HTR4 172/4885DRD4 420/4885DRD2 268/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 HTR4 134/4885DRD4 79/4885DRD2 41/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 HTR4 45/4885DRD4 133/4885DRD2 111/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 HTR4 134/4885DRD4 79/4885DRD2 41/4885
US-20100249136-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 HTR4 45/4885DRD4 133/4885DRD2 111/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 HTR4 4156/4885DRD4 2076/4885DRD2 1944/4885

“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.