SCHEMBL9995149

SCHEMBL9995149

O=C(OCC1CCc2nc3cc(Br)ccc3c(=O)n2C1)OCC1CCc2nc3cc(Br)ccc3c(=O)n2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
CACNA2D1 P54289 1/20 0.37
APP P05067 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 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
SCHEMBL9995150 0.93 RAB9A (0.43) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL6921433 0.90 RAB9A (0.38) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL6920627 0.85 NPC1 (0.45) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL9994787 0.81 NPC1 (0.37) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL6921820 0.81 NPC1 (0.43) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL9994536 0.81 RAB9A (0.39) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL6920538 0.81 NPC1 (0.41) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL6920730 0.80 NPC1 (0.33) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL12040399 0.80 ALDH1A1 (0.41) RAB9ANPC1CRHBPCRHR2ALDH1A1
SCHEMBL6921322 0.79 NPC1 (0.47) RAB9ANPC1CRHBPCRHR2ALDH1A1

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 4 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-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 RAB9A 1387/4885NPC1 811/4885CRHBP 412/4885
US-10077243-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof GRM5, GRIK5, GRM2 RAB9A 2087/4885NPC1 262/4885CRHBP 395/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 RAB9A 1387/4885NPC1 811/4885CRHBP 412/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 RAB9A 1387/4885NPC1 811/4885CRHBP 412/4885

“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.