SCHEMBL6921189

SCHEMBL6921189

Cn1c(C2CCCO2)nc2cc(Br)ccc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
CACNA2D1 P54289 1/20 0.37
CTSD P07339 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
APLNR P35414 1/20 0.36
PDE10A Q9Y233 1/20 0.36
LRRK2 Q5S007 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACHE P22303 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6922231 0.94 CACNA2D1 (0.39) DHFRCACNA2D1ALDH1A1USP2HRH4
SCHEMBL6921099 0.84 CACNA2D1 (0.38) CACNA2D1ALDH1A1HTTUSP2HRH4
SCHEMBL6921962 0.83 HRH1 (0.41) CACNA2D1ALDH1A1USP2CYP3A4
SCHEMBL6921190 0.79 CTSD (0.46) DHFRCTSDALDH1A1USP2CYP3A4
SCHEMBL2050602 0.79 PARG (0.38) CACNA2D1CTSDALDH1A1USP2PDE10A
SCHEMBL2054042 0.77 CDC7 (0.45) HRH4
SCHEMBL6920648 0.77 CACNA2D1 (0.40) CACNA2D1ALDH1A1HTTUSP2HRH4
SCHEMBL2050540 0.77 GRM5 (0.41)
SCHEMBL28558403 0.76 ALDH1A1 (0.41) DHFRALDH1A1HTTAPLNRPDE10A
SCHEMBL2037185 0.76 TAAR1 (0.52) CACNA2D1ALDH1A1USP2ACHEHRH4

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 DHFR 694/4885CACNA2D1 1448/4885CTSD 4089/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 DHFR 694/4885CACNA2D1 1448/4885CTSD 4089/4885

“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.