Sugi Predict

Sugi Predict / Compounds / SCHEMBL990820

SCHEMBL990820

SCHEMBL990820

O=C(CCc1cccc2[nH]ccc12)N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ GRM5 P41594 4/20 0.40
▸ BCHE P06276 2/20 0.38
▸ ACHE P22303 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ THRB P10828 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ CHRM1 P11229 1/20 0.33

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 0.90 MEN1 (0.40) HPGDHTTRECQLTHRBEPHX2
SCHEMBL990794 0.81 MDM2 (0.41) HPGDGRM5BCHEACHENPC1
SCHEMBL990846 0.78 NPC1 (0.46) GRM5NPC1EPHX2CHRM1CHRM3
SCHEMBL990965 0.78 GRM5 (0.44) HPGDGRM5NPC1RAB9ATHRB
SCHEMBL16390663 0.77 EPHX2 (0.53) HPGDGRM5ALDH1A1THRBEPHX2
SCHEMBL990289 0.77 EPHX2 (0.53) HPGDGRM5ALDH1A1THRBEPHX2
SCHEMBL990340 0.74 L3MBTL1 (0.59) GRM5NPC1RAB9A
SCHEMBL990109 0.74 GRM5 (0.42) GRM5EPHX2CHRM1CHRM3
SCHEMBL3694789 0.74 GRM5 (0.42) GRM5EPHX2CHRM1CHRM3
SCHEMBL4722043 0.74 PLAAT3 (0.44) HPGDGRM5NPC1RAB9AALDH1A1

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 20 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
WO-2009047303-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDER 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 (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 HPGD 454/4885HTT 1960/4885RECQL 2919/4885
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 HPGD 2602/4885HTT 772/4885RECQL 4447/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HPGD 2729/4885HTT 736/4885RECQL 4518/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 HPGD 2729/4885HTT 736/4885RECQL 4518/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 HPGD 834/4885HTT 354/4885RECQL 3548/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 HPGD 1225/4885HTT 123/4885RECQL 3495/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 HPGD 834/4885HTT 354/4885RECQL 3548/4885
US-20100249136-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 HPGD 1225/4885HTT 123/4885RECQL 3495/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 HPGD 454/4885HTT 1960/4885RECQL 2919/4885

“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.