SCHEMBL2228495

SCHEMBL2228495

N#Cc1ccc2cccc(OCCC3CCN(C(=O)OCc4cscn4)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
SRC P12931 1/20 0.37
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MGLL Q99685 2/20 0.35
CHRM4 P08173 2/20 0.34
GRIN2B Q13224 6/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
FAAH O00519 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL2228616 0.88 KDM4E (0.43) MCHR1MMP2MMP9GRIN2BKDM4E
SCHEMBL2228295 0.85 MCHR1 (0.40) MCHR1SRCMGLLCHRM4GRIN2B
SCHEMBL2227847 0.84 GRIN2B (0.41) MCHR1SRCMMP2MMP9MGLL
SCHEMBL2228384 0.83 MMP2 (0.43) MMP2MMP9MGLLCHRM4GRIN2B
SCHEMBL2229979 0.82 MMP2 (0.41) MMP2MMP9MGLLCHRM4
SCHEMBL2226384 0.81 HRH3 (0.43) MMP2MMP9MGLLCHRM4GRIN2B
SCHEMBL2229045 0.80 MMP2 (0.45) MMP2MMP9CHRM4GRIN2BFAAH
SCHEMBL2227294 0.80 MGLL (0.43) MMP2MMP9MGLLCHRM4GRIN2B
SCHEMBL2228993 0.79 KDM4E (0.44) MMP2MMP9CHRM4GRIN2BOPRD1
SCHEMBL2227170 0.79 MGLL (0.50) MMP2MMP9MGLLCHRM4FAAH

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 MCHR1 901/4885SRC 2850/4885MMP2 2880/4885

“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.