SCHEMBL6921786

SCHEMBL6921786

CC1(C)Cn2c(nc3cc(Br)ccc3c2=O)CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
CACNA2D1 P54289 1/20 0.36
APP P05067 2/20 0.34
HRH4 Q9H3N8 1/20 0.33
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
BCHE P06276 1/20 0.32
CFTR P13569 1/20 0.32
ALOX15 P16050 1/20 0.32
ACHE P22303 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL6922851 0.81 RAB9A (0.41) RAB9ANPC1CRHBPCRHR2CACNA2D1
SCHEMBL2053715 0.79 RAB9A (0.44) RAB9ANPC1CRHBPCRHR2CACNA2D1
SCHEMBL6922074 0.78 CACNA2D1 (0.45) RAB9ANPC1CRHBPCRHR2CACNA2D1
SCHEMBL6921580 0.78 RAB9A (0.39) RAB9ANPC1CRHBPCRHR2CACNA2D1
SCHEMBL14239068 0.77 CACNA2D1 (0.40) RAB9ANPC1CRHBPCRHR2CACNA2D1
SCHEMBL6923258 0.77 RAB9A (0.48) RAB9ANPC1CRHBPCRHR2APP
SCHEMBL6920433 0.77 RAB9A (0.43) RAB9ANPC1CRHBPCRHR2CACNA2D1
SCHEMBL14239380 0.76 NPC1 (0.41) RAB9ANPC1CRHBPCRHR2CACNA2D1
SCHEMBL14239946 0.76 NPC1 (0.40) RAB9ANPC1CRHBPCRHR2CACNA2D1
SCHEMBL6921855 0.76 NPC1 (0.40) RAB9ANPC1CRHBPCRHR2CACNA2D1

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 3 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
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 (1 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-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.