SCHEMBL6921823

SCHEMBL6921823

O=c1c2ccc(C#Cc3ccccc3Cl)cc2nc2n1CCC1(CC2)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.40
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GRM5 P41594 1/20 0.38
CYP1A2 P05177 2/20 0.37
USP2 O75604 2/20 0.37
ALOX15 P16050 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
ACHE P22303 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GOPC Q9HD26 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 2/20 0.36

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
SCHEMBL12041509 0.89 KDM4E (0.39) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12041366 0.89 L3MBTL1 (0.41) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12041548 0.89 L3MBTL1 (0.39) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12041367 0.89 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL6922537 0.88 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL6922614 0.88 ALDH1A1 (0.41) RAB9AALDH1A1KDM4EGAAHPGD
SCHEMBL6921802 0.87 ALDH1A1 (0.45) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12041569 0.87 ALDH1A1 (0.35) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12041408 0.85 NPC1 (0.35) RAB9ANPC1ALDH1A1KDM4EGAA
SCHEMBL12041587 0.85 ALDH1A1 (0.35) RAB9ANPC1ALDH1A1KDM4EGAA

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 RAB9A 1387/4885NPC1 811/4885ALDH1A1 1721/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 RAB9A 1387/4885NPC1 811/4885ALDH1A1 1721/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 RAB9A 1387/4885NPC1 811/4885ALDH1A1 1721/4885

“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.