SCHEMBL2052018

SCHEMBL2052018

CO/C=C1\CCc2nc3cc(C#Cc4cccc(F)c4)ccc3c(=O)n2CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GRM5 P41594 5/20 0.38
CYP3A4 P08684 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
BCHE P06276 1/20 0.35
CFTR P13569 1/20 0.35
ALOX15 P16050 1/20 0.35
ACHE P22303 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2052019 1.00 L3MBTL1 (0.39) L3MBTL1TDP1GRM5CYP3A4RAB9A
SCHEMBL2052017 1.00 L3MBTL1 (0.39) L3MBTL1TDP1GRM5CYP3A4RAB9A
SCHEMBL12040972 0.88 L3MBTL1 (0.41) L3MBTL1TDP1GRM5CYP3A4RAB9A
SCHEMBL6921982 0.86 L3MBTL1 (0.39) L3MBTL1TDP1CYP3A4RAB9ANPC1
SCHEMBL2053268 0.84 L3MBTL1 (0.41) L3MBTL1TDP1GRM5CYP3A4RAB9A
SCHEMBL6921652 0.82 L3MBTL1 (0.40) L3MBTL1TDP1GRM5CYP3A4RAB9A
SCHEMBL6921520 0.82 L3MBTL1 (0.54) L3MBTL1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL6921662 0.81 MEN1 (0.54) L3MBTL1TDP1CYP3A4RAB9ANPC1
SCHEMBL6923716 0.81 LMNA (0.45) L3MBTL1TDP1GRM5RAB9ANPC1
SCHEMBL6922420 0.80 GRM5 (0.40) L3MBTL1TDP1GRM5RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2018-09-18 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 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 (4 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 L3MBTL1 3622/4885TDP1 1917/4885GRM5 1/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 L3MBTL1 4064/4885TDP1 3528/4885GRM5 1/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 L3MBTL1 3622/4885TDP1 1917/4885GRM5 1/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 L3MBTL1 3622/4885TDP1 1917/4885GRM5 1/4885

“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.