SCHEMBL6922537

SCHEMBL6922537

O=c1c2ccc(C#Cc3ccc(Cl)cc3)cc2nc2n1CCC1(CC2)OCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
USP2 O75604 3/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
STAT1 P42224 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
SCHEMBL6921802 0.91 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL12041367 0.91 ALDH1A1 (0.44) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL12041370 0.90 RAB9A (0.41) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL12041400 0.90 ALDH1A1 (0.37) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL12041561 0.90 L3MBTL1 (0.41) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL6921410 0.90 SMN1; SMN2 (0.42) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL12041383 0.89 ALDH1A1 (0.39) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL6921823 0.88 RAB9A (0.41) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL12041578 0.87 MEN1 (0.37) ALDH1A1GAAKDM4EHPGDNPSR1
SCHEMBL12041534 0.87 MAPK1 (0.44) ALDH1A1GAAKDM4EHPGDNPSR1

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 7 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-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-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 (3 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 ALDH1A1 1721/4885GAA 1294/4885KDM4E 2003/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885GAA 1294/4885KDM4E 2003/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ALDH1A1 1721/4885GAA 1294/4885KDM4E 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.