SCHEMBL9995128

SCHEMBL9995128

C[C@H]1CCCn2c(nc3cc(C#Cc4ccccn4)ccc3c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
PTPN7 P35236 1/20 0.43
DUSP3 P51452 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 6/20 0.42
TDP1 Q9NUW8 4/20 0.42
HCRTR1 O43613 3/20 0.41
NSD2 O96028 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38
CFTR P13569 1/20 0.38
ALOX15 P16050 1/20 0.38
ACHE P22303 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2051074 1.00 POLB (0.43) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2053408 1.00 POLB (0.43) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL6922456 0.94 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2053526 0.88 POLB (0.46) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2053527 0.88 POLB (0.46) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL9994873 0.88 POLB (0.46) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL15818311 0.88 POLB (0.36) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL6923041 0.87 POLB (0.45) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2046073 0.86 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1
SCHEMBL2046075 0.86 POLB (0.44) POLBPTPN7DUSP3RXFP1NPC1

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 POLB 4462/4885PTPN7 2475/4885DUSP3 2731/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 POLB 4101/4885PTPN7 2280/4885DUSP3 3444/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 POLB 4462/4885PTPN7 2475/4885DUSP3 2731/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 POLB 4462/4885PTPN7 2475/4885DUSP3 2731/4885

“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.