SCHEMBL6923404

SCHEMBL6923404

O=c1c2ccc(Br)cc2nc2n1CCC(CO)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 3/20 0.39
APP P05067 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
CACNA2D1 P54289 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CFTR P13569 1/20 0.36
ALOX15 P16050 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GOPC Q9HD26 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
SCHEMBL6922156 0.88 CACNA2D1 (0.41) NPC1RAB9ACRHBPCRHR2ALDH1A1
SCHEMBL12040480 0.84 SMN1; SMN2 (0.42) NPC1RAB9ACRHBPCRHR2ALDH1A1
SCHEMBL6921688 0.81 MAPT (0.45) NPC1RAB9ACRHBPCRHR2ALDH1A1
SCHEMBL6920627 0.81 NPC1 (0.45) NPC1RAB9ACRHBPCRHR2ALDH1A1
SCHEMBL6922008 0.80 NPC1 (0.46) NPC1RAB9ACRHBPCRHR2ALDH1A1
SCHEMBL6920962 0.79 NPC1 (0.46) NPC1RAB9ACRHBPCRHR2ALDH1A1
SCHEMBL30098344 0.79 SMN1; SMN2 (0.43) ALDH1A1APPSMN1; SMN2BCHEACHE
SCHEMBL6921658 0.79 NPC1 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2BCHE
SCHEMBL2050255 0.78 NPC1 (0.51) NPC1RAB9ACRHBPCRHR2ALDH1A1
SCHEMBL6922266 0.77 NPC1 (0.45) NPC1RAB9ACRHBPCRHR2ALDH1A1

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-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
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 (2 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 NPC1 811/4885RAB9A 1387/4885CRHBP 412/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 NPC1 811/4885RAB9A 1387/4885CRHBP 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.