SCHEMBL992103

SCHEMBL992103

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(Cl)c2)C1)c1cncc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMYD3 Q9H7B4 2/20 0.44
GRM5 P41594 8/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.42
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 3/20 0.41
POLB P06746 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
SCHEMBL3724178 0.88 GRM5 (0.37) KMT2AMEN1KDM4ERXFP1SMYD3
SCHEMBL990840 0.87 GRM5 (0.60) KMT2AMEN1GRM5L3MBTL1NPC1
SCHEMBL990817 0.87 GRM5 (0.60) KMT2AMEN1GRM5L3MBTL1NPC1
SCHEMBL3284072 0.86 GRM5 (0.57) GRM5L3MBTL1NPC1ALDH1A1SMN1; SMN2
SCHEMBL990125 0.86 GRM5 (0.57) GRM5L3MBTL1NPC1ALDH1A1SMN1; SMN2
SCHEMBL990340 0.86 L3MBTL1 (0.59) KMT2AMEN1GRM5L3MBTL1NPC1
SCHEMBL989485 0.84 GRM5 (0.47) GRM5L3MBTL1NPC1ALDH1A1RAB9A
SCHEMBL990851 0.84 GRM5 (0.46) GRM5L3MBTL1NPC1RAB9A
SCHEMBL2818567 0.83 L3MBTL1 (0.47) KMT2AMEN1GRM5L3MBTL1NPC1
SCHEMBL990869 0.82 GRM5 (0.48) KMT2AMEN1GRM5L3MBTL1NPC1

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
EP-1877365-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2010-11-10 EP claimed
US-7696379-B2 Acetylene derivatives NOVARTIS AG (CH) 2010-04-13 US claimed
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
EP-1877365-B1 ACETYLENE DERIVATIVES NOVARTIS AG (CH) 2010-11-10 EP disclosed
US-20100249136-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-09-30 US 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
WO-2010000763-A2 COMBINATION PRODUCTS NOVARTIS AG (CH) 2010-01-07 WO disclosed
US-20080214673-A1 Acetylene Derivatives NOVARTIS AG (CH) 2008-09-04 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 (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 KMT2A 2216/4885MEN1 732/4885KDM4E 3641/4885
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 KMT2A 1101/4885MEN1 4664/4885KDM4E 1396/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KMT2A 1058/4885MEN1 4674/4885KDM4E 1443/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 KMT2A 1058/4885MEN1 4674/4885KDM4E 1443/4885
US-20120122878-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 KMT2A 278/4885MEN1 4721/4885KDM4E 318/4885
US-20150272929-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 KMT2A 1731/4885MEN1 4778/4885KDM4E 1141/4885
US-20140194423-A1 COMBINATION PRODUCTS GRM5, GRM2, GRM1 KMT2A 278/4885MEN1 4721/4885KDM4E 318/4885
US-20100249136-A1 ORGANIC COMPOUNDS GRM5, GRM2, GRM4 KMT2A 1731/4885MEN1 4778/4885KDM4E 1141/4885
US-20080214673-A1 Acetylene Derivatives NAT1, NAT10, F12 KMT2A 2216/4885MEN1 732/4885KDM4E 3641/4885

“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.