SCHEMBL6923247

SCHEMBL6923247

CC1(C)CCn2c(nc3cc(/C=C/c4cccc(C#N)n4)ccc3c2=O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
APP P05067 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
BCHE P06276 1/20 0.31
CFTR P13569 1/20 0.31
ALOX15 P16050 1/20 0.31
ACHE P22303 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GOPC Q9HD26 1/20 0.31
TGFBR1 P36897 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL9994301 1.00 L3MBTL1 (0.35) L3MBTL1TDP1APOBEC3AAPOBEC3GAPP
SCHEMBL6923268 0.86 L3MBTL1 (0.37) L3MBTL1TDP1APOBEC3AAPOBEC3GAPP
SCHEMBL9994545 0.86 L3MBTL1 (0.37) L3MBTL1TDP1APOBEC3AAPOBEC3GAPP
SCHEMBL6923029 0.84 IP6K1 (0.41) L3MBTL1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL2053729 0.84 IP6K1 (0.41) L3MBTL1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL16245261 0.83 KMT2A (0.50) L3MBTL1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL15818150 0.83 TDP1 (0.37) L3MBTL1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL14239806 0.83 TDP1 (0.37) L3MBTL1TDP1ALDH1A1KDM4EKMT2A
SCHEMBL6921480 0.82 L3MBTL1 (0.38) L3MBTL1TDP1APOBEC3AAPOBEC3GALDH1A1
SCHEMBL14240295 0.81 USP30 (0.41) L3MBTL1TDP1APOBEC3AAPOBEC3GALDH1A1

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 13 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-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-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-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-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-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
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
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 1917/4885APOBEC3A 4424/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 L3MBTL1 4064/4885TDP1 3528/4885APOBEC3A 4634/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 L3MBTL1 3622/4885TDP1 1917/4885APOBEC3A 4424/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 L3MBTL1 3622/4885TDP1 1917/4885APOBEC3A 4424/4885

“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.