SCHEMBL6921428

SCHEMBL6921428

Cc1cnc(C(=O)Nc2ccc3c(=O)n4c(nc3c2)CCCCCC4)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.60
RAB9A P51151 12/20 0.59
NPC1 O15118 11/20 0.59
LMNA P02545 8/20 0.59
POLB P06746 2/20 0.59
ALDH1A1 P00352 9/20 0.59
KMT2A Q03164 5/20 0.57
MEN1 O00255 2/20 0.57
USP2 O75604 2/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
TP53 P04637 3/20 0.57
MAPT P10636 2/20 0.57
ALOX15 P16050 1/20 0.57
STAT1 P42224 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 1/20 0.55
KDM4E B2RXH2 2/20 0.55
NSD2 O96028 1/20 0.53

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
SCHEMBL2050682 0.82 RAB9A (0.73) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL6921483 0.79 RAB9A (0.89) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL11092560 0.77 NPC1 (0.63) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL10850147 0.74 NPC1 (0.59) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL8968942 0.73 ALDH1A1 (0.80) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL29173085 0.72 BCHE (0.63)
SCHEMBL29173083 0.72 BCHE (0.62)
SCHEMBL2053429 0.71 ALDH1A1 (0.71) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL6922161 0.71 RAB9A (0.57) MAPK1RAB9ANPC1LMNAPOLB
SCHEMBL2052740 0.70 ALDH1A1 (0.72) MAPK1RAB9ANPC1LMNAPOLB

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-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
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 MAPK1 1459/4885RAB9A 1387/4885NPC1 811/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 MAPK1 1459/4885RAB9A 1387/4885NPC1 811/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 MAPK1 1459/4885RAB9A 1387/4885NPC1 811/4885

“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.