SCHEMBL9994286

SCHEMBL9994286

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC/C(=N/O)CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
FABP5 Q01469 3/20 0.39
KDM4E B2RXH2 2/20 0.39
FABP7 O15540 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
EPHX2 P34913 1/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2049636 1.00 KMT2A (0.40) KMT2AFABP5KDM4EFABP7GAA
SCHEMBL2049637 1.00 KMT2A (0.40) KMT2AFABP5KDM4EFABP7GAA
SCHEMBL30555288 0.85 TSHR (0.50) KMT2AFABP5FABP7GAAALDH1A1
SCHEMBL8222797 0.85 TSHR (0.50) KMT2AFABP5FABP7GAAALDH1A1
SCHEMBL30824716 0.85 TSHR (0.50) KMT2AFABP5FABP7GAAALDH1A1
SCHEMBL6922053 0.84 POLB (0.44) KMT2AFABP5FABP7GAAALDH1A1
SCHEMBL31220527 0.83 TSHR (0.52) KMT2AFABP5FABP7GAAALDH1A1
SCHEMBL711979 0.83 TSHR (0.52) KMT2AFABP5FABP7GAAALDH1A1
SCHEMBL30276687 0.83 TSHR (0.52) KMT2AFABP5FABP7GAAALDH1A1
SCHEMBL14161332 0.82 KDM4E (0.51) KMT2AFABP5KDM4EFABP7GAA

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 5 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

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 KMT2A 944/4885FABP5 382/4885KDM4E 2003/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 KMT2A 2776/4885FABP5 361/4885KDM4E 3942/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 KMT2A 944/4885FABP5 382/4885KDM4E 2003/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 KMT2A 944/4885FABP5 382/4885KDM4E 2003/4885

“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.