SCHEMBL2229428

SCHEMBL2229428

CC(=O)Nc1cccc2ccc(OCCC3CCN(C(=O)OCc4nccs4)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
GRIN2B Q13224 9/20 0.41
CCR8 P51685 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.37
KCNA5 P22460 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
TGFBR1 P36897 1/20 0.36
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL2226607 0.94 MMP2 (0.43) MMP2MMP9GRIN2BCCR8KDM4E
SCHEMBL2228626 0.85 GRIN2B (0.48) MMP2MMP9GRIN2BKDM4EMAPT
SCHEMBL2227267 0.82 GRIN2B (0.44) MMP2MMP9GRIN2BKDM4EMAPT
SCHEMBL2230339 0.82 GRIN2B (0.45) MMP2MMP9GRIN2BMAPTNOS1
SCHEMBL2227752 0.81 GRIN2B (0.44) MMP2MMP9GRIN2BKDM4EMAPT
Trifluoroacetic Acid SCHEMBL2287813 0.81 GRIN2B (0.47) MMP2MMP9GRIN2BKDM4EMAPT
SCHEMBL2229512 0.81 MAPT (0.50) MMP2MMP9GRIN2BKDM4EMAPT
SCHEMBL2230429 0.79 LMNA (0.47) GRIN2BCCR8KDM4EPOLBMAPT
SCHEMBL2228679 0.79 GRIN2B (0.48) MMP2MMP9GRIN2BKDM4EMAPT
SCHEMBL2229199 0.79 MMP2 (0.46) MMP2MMP9GRIN2BKDM4EMAPT

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 MMP2 2880/4885MMP9 522/4885GRIN2B 362/4885

“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.