SCHEMBL6922300

SCHEMBL6922300

O=c1c2ccc(Br)cc2nc2n1CCCC2Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
BCHE P06276 2/20 0.44
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
CFTR P13569 1/20 0.38
ALOX15 P16050 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GOPC Q9HD26 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL6921706 0.84 CACNA2D1 (0.41) ACHEBCHEALDH1A1SMN1; SMN2
SCHEMBL12059103 0.82 L3MBTL1 (0.41) ACHEBCHEL3MBTL1
SCHEMBL6920304 0.81 RAB9A (0.39) ACHEBCHEALDH1A1CYP1A2KDM4E
SCHEMBL6922324 0.80 L3MBTL1 (0.39) ACHEBCHEL3MBTL1
SCHEMBL6922761 0.78 CACNA2D1 (0.39) ACHEBCHEALDH1A1KDM4ESMN1; SMN2
SCHEMBL15835011 0.77 ACHE (0.40) ACHEBCHEALDH1A1CYP1A2KDM4E
SCHEMBL12040480 0.76 SMN1; SMN2 (0.42) ACHEBCHEALDH1A1CYP1A2KDM4E
SCHEMBL6921119 0.75 CACNA2D1 (0.41) ACHEBCHEALDH1A1CYP1A2KDM4E
SCHEMBL6920869 0.75 ACHE (0.40) ACHEBCHEALDH1A1CYP1A2KDM4E
SCHEMBL12040399 0.74 ALDH1A1 (0.41) ACHEBCHEALDH1A1CYP1A2KDM4E

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 ACHE 479/4885BCHE 483/4885ALDH1A1 1721/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 ACHE 479/4885BCHE 483/4885ALDH1A1 1721/4885

“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.