SCHEMBL2229979

SCHEMBL2229979

N#Cc1ccc2cc(OCCC3CCN(C(=O)OCc4cscn4)CC3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CHRM4 P08173 2/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 2/20 0.39
MGLL Q99685 1/20 0.39
ENPP2 Q13822 1/20 0.38
HTR3A P46098 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CA2 P00918 1/20 0.37
GPR119 Q8TDV5 4/20 0.37
TEAD1 P28347 1/20 0.37
TEAD3 Q99594 1/20 0.37
CHEK2 O96017 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
SCHEMBL2226384 0.93 HRH3 (0.43) MMP2MMP9CHRM4MGLLENPP2
SCHEMBL2227170 0.90 MGLL (0.50) MMP2MMP9CHRM4MGLLENPP2
SCHEMBL2228875 0.90 HRH2 (0.48) MMP2MMP9ENPP2HRH2HRH1
SCHEMBL2229045 0.88 MMP2 (0.45) MMP2MMP9CHRM4SLC6A2SLC6A4
SCHEMBL2227230 0.88 GRIN2B (0.44) MMP2MMP9ENPP2HRH3GPR119
SCHEMBL2227846 0.87 HRH2 (0.44) MMP2MMP9CHRM4SLC6A2SLC6A4
SCHEMBL2229024 0.86 GRIN2B (0.42) MMP2MMP9ENPP2HRH3GPR119
SCHEMBL2229885 0.85 GPR119 (0.43) MMP2MMP9CHRM4KCNH2GPR119
SCHEMBL2228462 0.85 MMP2 (0.40) MMP2MMP9HRH2HRH1GPR119
SCHEMBL2227262 0.84 MMP2 (0.41) MMP2MMP9HRH2HRH1GPR119

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 MMP2 2880/4885MMP9 522/4885CHRM4 120/4885

“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.