SCHEMBL2228034

SCHEMBL2228034

N#Cc1ccc2cc(OCCC3CCN(C(=O)OCc4nccs4)CC3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
HRH2 P25021 4/20 0.40
HRH1 P35367 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CHRM4 P08173 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNA5 P22460 1/20 0.39
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
MGLL Q99685 1/20 0.37
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37
ENPP2 Q13822 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
SCHEMBL2227943 0.90 MGLL (0.48) GRIN2BMMP2MMP9HRH2HRH1
SCHEMBL13836967 0.90 HRH2 (0.50) GRIN2BMMP2HRH2HRH1MEN1
SCHEMBL2228626 0.88 GRIN2B (0.48) GRIN2BMMP2MMP9MEN1KMT2A
SCHEMBL13837118 0.87 HRH2 (0.46) GRIN2BMMP2MMP9HRH2HRH1
SCHEMBL2227752 0.86 GRIN2B (0.44) GRIN2BMMP2MMP9HRH3KCNA5
SCHEMBL2230328 0.85 GPR119 (0.42) GRIN2BMMP2MMP9CHRM4
SCHEMBL2229355 0.85 GRIN2B (0.42) GRIN2BMMP2MMP9HRH2HRH1
SCHEMBL2229765 0.84 CHRM4 (0.39) GRIN2BHRH2HRH1HRH3CHRM4
SCHEMBL2229199 0.84 MMP2 (0.46) GRIN2BMMP2MMP9HRH3
Trifluoroacetic Acid SCHEMBL2287813 0.84 GRIN2B (0.47) GRIN2BMMP2MMP9MEN1KMT2A

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-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
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 362/4885MMP2 2880/4885MMP9 522/4885

“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.