SCHEMBL1003161

SCHEMBL1003161

COc1cccc(CN2CCC(Cc3cc(C)c4c(c3)C(=O)N(CC3CC3)C4)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A4 P31645 1/20 0.46
ACHE P22303 3/20 0.44
PARP1 P09874 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
CCR3 P51677 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
OPRM1 P35372 1/20 0.42
ALDH3A1 P30838 1/20 0.42

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
SCHEMBL1000989 0.86 PARP1 (0.51) ALDH1A1KDM4EMAPTHTR1ASLC6A4
SCHEMBL1001898 0.75 PARP1 (0.49) ACHEPARP1PARP2CCR3
SCHEMBL1003044 0.73 PARP1 (0.53) ALDH1A1KDM4EMAPTACHEPARP1
SCHEMBL8246354 0.72 KDM4E (0.44) ALDH1A1KDM4EMAPTACHEPARP1
SCHEMBL28801570 0.70 SIGMAR1 (0.70) ALDH1A1KDM4EMAPTACHESIGMAR1
SCHEMBL1001867 0.70 MEN1 (0.46) ACHEPARP1PARP2
SCHEMBL7375679 0.69 SIGMAR1 (0.65) ALDH1A1KDM4EMAPTHTR1ASLC6A4
SCHEMBL1003204 0.69 PARP1 (0.51) ALDH1A1ACHEPARP1PARP2SIGMAR1
SCHEMBL12013920 0.68 SIGMAR1 (0.70) ALDH1A1KDM4EMAPTACHESIGMAR1
SCHEMBL1002130 0.67 PARP1 (0.50) HTR1AACHEPARP1PARP2CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 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 (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-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 ALDH1A1 1757/4885KDM4E 3408/4885MAPT 2927/4885

“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.