SCHEMBL2227752

SCHEMBL2227752

COc1ccc2ccc(OCCC3CCN(C(=O)OCc4nccs4)CC3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.44
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
NOS3 P29474 1/20 0.43
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
KCNA5 P22460 1/20 0.38
CHEK2 O96017 1/20 0.38
ENPP2 Q13822 1/20 0.38
HPGDS O60760 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
SCHEMBL2228626 0.92 GRIN2B (0.48) GRIN2BMMP2MMP9KDM4EALDH1A1
SCHEMBL2229355 0.89 GRIN2B (0.42) GRIN2BNOS1NOS2MMP2MMP9
Trifluoroacetic Acid SCHEMBL2287813 0.87 GRIN2B (0.47) GRIN2BMMP2MMP9KDM4EALDH1A1
SCHEMBL2229199 0.87 MMP2 (0.46) GRIN2BNOS1NOS2MMP2MMP9
SCHEMBL2228034 0.86 GRIN2B (0.41) GRIN2BMMP2MMP9KCNA5ENPP2
SCHEMBL2229512 0.85 MAPT (0.50) GRIN2BMMP2MMP9KDM4EALDH1A1
SCHEMBL2227267 0.85 GRIN2B (0.44) GRIN2BMMP2MMP9KDM4EALDH1A1
SCHEMBL2230339 0.85 GRIN2B (0.45) GRIN2BNOS1NOS2MMP2MMP9
SCHEMBL2227918 0.84 GRIN2B (0.44) GRIN2BMMP2MMP9KDM4EALDH1A1
SCHEMBL2230319 0.83 GRIN2B (0.44) GRIN2BNOS1NOS2NOS3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000010-B2 Alkyl-heterocycle carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-04-07 US claimed
EP-2526100-B1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2013-12-04 EP claimed
US-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-11-22 US claimed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 WO claimed
US-9000010-B2 Alkyl-heterocycle carbamate derivatives, their preparation and their therapeutic application SANOFI (FR) 2015-04-07 US disclosed
EP-2526100-B1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2013-12-04 EP disclosed
US-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2012-11-22 US disclosed
WO-2011089550-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI AVENTIS (FR) 2011-07-28 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 (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-20120295909-A1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION PRMT9, PRMT8, CBR1 GRIN2B 362/4885NOS1 525/4885NOS2 633/4885

“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.