SCHEMBL6922281

SCHEMBL6922281

O=c1c2ccc(Br)cc2nc2n1CC(Cc1ccccc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 3/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
USP2 O75604 2/20 0.37
KDM4E B2RXH2 1/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
ALOX15 P16050 1/20 0.37
ACHE P22303 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GOPC Q9HD26 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 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
SCHEMBL12040480 0.89 SMN1; SMN2 (0.42) ALDH1A1CYP1A2USP2KDM4EBCHE
SCHEMBL12040399 0.89 ALDH1A1 (0.41) CACNA2D1ALDH1A1CYP1A2GAACYP2D6
SCHEMBL6922156 0.83 CACNA2D1 (0.41) CACNA2D1ALDH1A1BCHEACHESMN1; SMN2
SCHEMBL12059079 0.81 BCL2A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19USP2
SCHEMBL6923104 0.81 CACNA2D1 (0.43) CACNA2D1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6920561 0.79 L3MBTL1 (0.36) L3MBTL1
SCHEMBL14238897 0.79 CACNA2D1 (0.40) CACNA2D1ALDH1A1GAAKDM4ENPC1
SCHEMBL6920429 0.77 CACNA2D1 (0.45) CACNA2D1ALDH1A1CYP1A2CYP2C19USP2
SCHEMBL12040238 0.75 ALDH1A1 (0.40) ALDH1A1CYP1A2GAACYP2D6CYP2C9
SCHEMBL6922937 0.75 ALDH1A1 (0.32) ALDH1A1CYP1A2USP2KDM4EBCHE

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 CACNA2D1 1448/4885ALDH1A1 1721/4885CYP1A2 4540/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 CACNA2D1 1448/4885ALDH1A1 1721/4885CYP1A2 4540/4885

“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.