SCHEMBL6921889

SCHEMBL6921889

O=c1c2ccc(C#Cc3cccc(F)c3)cc2nc2n1CCN(C1CCC1)CC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.49
HRH3 Q9Y5N1 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 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
GOPC Q9HD26 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9994516 0.88 GRM5 (0.53) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL12059605 0.85 KDM2B (0.44) HRH3TDP1L3MBTL1RAB9ANPC1
SCHEMBL6921520 0.85 L3MBTL1 (0.54) TDP1L3MBTL1RAB9ANPC1KDM4E
Acetonitrile SCHEMBL16245220 0.85 GRM5 (0.49) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL6921662 0.84 MEN1 (0.54) TDP1L3MBTL1RAB9ANPC1KDM4E
SCHEMBL6923716 0.83 LMNA (0.45) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL9994720 0.82 LMNA (0.46) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL6923279 0.82 GRM5 (0.41) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL2042382 0.82 RAB9A (0.40) GRM5TDP1L3MBTL1RAB9ANPC1
SCHEMBL9994186 0.82 L3MBTL1 (0.40) GRM5TDP1L3MBTL1RAB9ANPC1

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 12 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
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 GRM5 1/4885HRH3 1089/4885TDP1 1917/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 GRM5 1/4885HRH3 780/4885TDP1 3528/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885HRH3 1089/4885TDP1 1917/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885HRH3 1089/4885TDP1 1917/4885

“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.