Sugi Predict

Sugi Predict / Compounds / SCHEMBL991456

SCHEMBL991456

SCHEMBL991456

O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ MCHR1 Q99705 5/20 0.46
▸ NR1H4 Q96RI1 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GRM5 P41594 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40

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
SCHEMBL14717841 0.87 MEN1 (0.40) SIGMAR1EPHX2MCHR1NR1H4MEN1
SCHEMBL990289 0.85 EPHX2 (0.53) SIGMAR1EPHX2MEN1KMT2APOLB
SCHEMBL16390663 0.85 EPHX2 (0.53) SIGMAR1EPHX2MEN1KMT2APOLB
SCHEMBL990846 0.80 NPC1 (0.46) SIGMAR1EPHX2KMT2AGRM5TRPV1
SCHEMBL991006 0.78 GRM5 (0.46) HPGDTSHRGRM5ALDH1A1TRPV1
SCHEMBL992693 0.78 GRM5 (0.46) HPGDTSHRGRM5ALDH1A1TRPV1
SCHEMBL990891 0.77 GRM5 (0.46) EPHX2MEN1KMT2ATSHRGRM5
SCHEMBL990723 0.77 GRM5 (0.46) EPHX2MEN1KMT2ATSHRGRM5
SCHEMBL990965 0.77 GRM5 (0.44) EPHX2KMT2AHPGDGRM5
SCHEMBL990340 0.77 L3MBTL1 (0.59) MEN1KMT2AGRM5

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 22 patents — showing the first 20. 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-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
US-20100249136-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-30 — — 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
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
WO-2009047303-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDER NOVARTIS AG (CH) 2009-04-16 — — 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
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 (8 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-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 SIGMAR1 424/4885EPHX2 1834/4885MCHR1 178/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SIGMAR1 356/4885EPHX2 1962/4885MCHR1 179/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 SIGMAR1 356/4885EPHX2 1962/4885MCHR1 179/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 SIGMAR1 454/4885EPHX2 857/4885MCHR1 130/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 SIGMAR1 202/4885EPHX2 2283/4885MCHR1 521/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 SIGMAR1 454/4885EPHX2 857/4885MCHR1 130/4885
US-20100249136-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 SIGMAR1 202/4885EPHX2 2283/4885MCHR1 521/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 SIGMAR1 118/4885EPHX2 3477/4885MCHR1 1400/4885

“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.