SCHEMBL2229355

SCHEMBL2229355

O=C(OCc1nccs1)N1CCC(CCOc2ccc3ccncc3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP3A4 P08684 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KCNA5 P22460 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
F12 P00748 1/20 0.36
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
CHEK2 O96017 1/20 0.36
TPH1 P17752 1/20 0.35
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
SCHEMBL2228626 0.91 GRIN2B (0.48) GRIN2BMMP2MMP9CYP2D6CYP2C9
SCHEMBL2227752 0.89 GRIN2B (0.44) GRIN2BMMP2MMP9CYP2C9CYP3A4
Trifluoroacetic Acid SCHEMBL2287813 0.86 GRIN2B (0.47) GRIN2BMMP2MMP9CYP2D6CYP2C9
SCHEMBL2228298 0.86 CYP3A4 (0.39) GRIN2BCYP2D6CYP2C9CYP3A4MRGPRX4
SCHEMBL2228034 0.85 GRIN2B (0.41) GRIN2BMMP2MMP9KCNA5TEAD1
SCHEMBL2229199 0.84 MMP2 (0.46) GRIN2BMMP2MMP9CHEK2NOS1
SCHEMBL2227267 0.84 GRIN2B (0.44) GRIN2BMMP2MMP9CYP3A4TEAD1
SCHEMBL2229512 0.84 MAPT (0.50) GRIN2BMMP2MMP9CYP2D6
SCHEMBL2227918 0.84 GRIN2B (0.44) GRIN2BMMP2MMP9GPR119TEAD1
SCHEMBL2227262 0.83 MMP2 (0.41) GRIN2BMMP2MMP9CYP2D6CYP2C9

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 362/4885MMP2 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.