Sugi Predict

Sugi Predict / Compounds / SCHEMBL990085

SCHEMBL990085

SCHEMBL990085

COc1cccc(C#CC2(O)CCCC(NC(C)=O)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 14/20 0.58
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL3971263 1.00 GRM5 (0.58) GRM5MTNR1AMTNR1BNPC1RAB9A
SCHEMBL3627130 0.92 GRM5 (0.58) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL990697 0.87 GRM5 (0.53) GRM5NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL990047 0.87 GRM5 (0.53) GRM5SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL990750 0.86 GRM5 (0.56) GRM5
SCHEMBL990045 0.85 GRM5 (0.54) GRM5CYP2C19
SCHEMBL990721 0.80 GRM5 (0.56) GRM5
SCHEMBL990246 0.79 GRM5 (0.58) GRM5
SCHEMBL14119620 0.78 GRM5 (0.54) GRM5
SCHEMBL5744089 0.78 GRM5 (0.52) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453512-B1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY NOVARTIS AG (CH) 2006-05-31 — — EP claimed
EP-2211859-B1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE NOVARTIS AG (CH) 2016-01-06 — — EP disclosed
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-20130331568-A1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY NOVARTIS AG (CH) 2013-12-12 — — US disclosed
US-8536229-B2 Acetylene derivatives having MGluR 5 antagonistic activity NOVARTIS AG (CH) 2013-09-17 — — US disclosed
EP-2563934-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) Novartis AG (CH) 2013-03-06 — — EP 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-20080207749-A1 Use of Mglur5 (Esp. Afq056) in Gi (Esp.Gerd) NOVARTIS AG 2008-08-28 — — US disclosed
US-20080146647-A1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY NOVARTIS AG (CH) 2008-06-19 — — US disclosed
EP-1915147-A1 USE OF MGLUR5 (ESP. AFQ056) IN GI (ESP. GERD) Novartis AG (CH) 2008-04-30 — — EP disclosed
US-7348353-B2 Acetylene derivatives having mGluR 5 antagonistic activity NOVARTIS AG (CH) 2008-03-25 — — US disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 — — WO disclosed
WO-2007006530-A1 USE OF MGLUR5 (ESP. AFQ056) IN GI (ESP. GERD) NOVARTIS AG (CH) 2007-01-18 — — WO disclosed
EP-1453512-B1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY NOVARTIS AG (CH) 2006-05-31 — — EP disclosed
US-20050065191-A1 Acetylene derivatives having mglur 5 antagonistic activity NOVARTIS AG (CH) 2005-03-24 — — 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 (7 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-20130331568-A1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY GRM5, GRM1, GRIK5 GRM5 1/4885MTNR1A 48/4885MTNR1B 103/4885
US-20080146647-A1 ACETYLENE DERIVATIVES HAVING MGLUR 5 ANTAGONISTIC ACTIVITY GRM5, GRIK5, GRM1 GRM5 1/4885MTNR1A 43/4885MTNR1B 93/4885
US-20050065191-A1 Acetylene derivatives having mglur 5 antagonistic activity GRM5, GRM1, GRM2 GRM5 1/4885MTNR1A 35/4885MTNR1B 65/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885MTNR1A 103/4885MTNR1B 136/4885
US-20080207749-A1 Use of Mglur5 (Esp. Afq056) in Gi (Esp.Gerd) GRM5, GRIK5, GPR55 GRM5 1/4885MTNR1A 368/4885MTNR1B 250/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 GRM5 1/4885MTNR1A 154/4885MTNR1B 173/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 GRM5 1/4885MTNR1A 54/4885MTNR1B 63/4885

“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.