SCHEMBL15835014

SCHEMBL15835014

COc1ccc2c(=O)n(C)c(C)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
PDE2A O00408 1/20 0.44
CYP3A4 P08684 1/20 0.43
EGFR P00533 1/20 0.43
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
GSTP1 P09211 1/20 0.41
AXL P30530 1/20 0.41

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
SCHEMBL16651229 0.82 CYP3A4 (0.42) KDM4EPDE3BPDE3APDE2ACYP3A4
SCHEMBL26767757 0.77 MAPT (0.51) KDM4EKCNA5KCNH2HSD17B10LMNA
SCHEMBL30629171 0.77 MAPT (0.51) KDM4EKCNA5KCNH2HSD17B10LMNA
SCHEMBL15835015 0.76 KDM4E (0.42) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL15834992 0.76 RXFP1 (0.45) PDE3BPDE3ACYP3A4LMNASMN1; SMN2
SCHEMBL31743099 0.76 RXFP1 (0.45) PDE3BPDE3ACYP3A4LMNASMN1; SMN2
SCHEMBL15834991 0.76 HAVCR2 (0.39) PDE3BPDE3ALMNAALDH1A1HPGD
SCHEMBL5071871 0.75 ALDH1A1 (0.58) KDM4EHSD17B10LMNAALDH1A1L3MBTL1
SCHEMBL9922451 0.75 KDM4E (0.49) KDM4EHSD17B10ALDH1A1L3MBTL1HPGD
SCHEMBL31743094 0.75 KDM4E (0.49) KDM4EHSD17B10ALDH1A1L3MBTL1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 US disclosed
US-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed
US-9260452-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2016-02-16 US disclosed
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-06-26 US 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-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 KDM4E 2910/4885PDE3B 1504/4885PDE3A 1423/4885
US-20140179682-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 KDM4E 3093/4885PDE3B 1942/4885PDE3A 1876/4885

“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.