SCHEMBL2228091

SCHEMBL2228091

CC(C)(C)CC(C)(C)c1ccc(OCCC2CCN(C(=O)OCc3nccs3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.42
GPR119 Q8TDV5 9/20 0.42
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
KCNA5 P22460 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL2230111 0.85 GRIN2B (0.48) GRIN2BGPR119MMP2MMP9TEAD1
SCHEMBL2228463 0.84 HRH2 (0.47) GRIN2BGPR119MMP2MMP9HRH2
SCHEMBL2230044 0.84 GRIN2B (0.46) GRIN2BGPR119MMP2MMP9TEAD1
SCHEMBL2227687 0.83 CHEK2 (0.47) GRIN2BGPR119MMP2MMP9TEAD1
SCHEMBL2231126 0.83 GRIN2B (0.44) GRIN2BGPR119CYP3A4MMP2MMP9
SCHEMBL2365495 0.83 GRIN2B (0.47) GRIN2BGPR119MMP2MMP9TEAD1
SCHEMBL2229417 0.83 GRIN2B (0.52) GRIN2BCYP3A4SMN1; SMN2MMP2MMP9
SCHEMBL2227417 0.83 GRIN2B (0.44) GRIN2BGPR119MMP2MMP9TEAD1
SCHEMBL2363549 0.83 GRIN2B (0.58) GRIN2BCYP3A4SMN1; SMN2MMP2MMP9
SCHEMBL2229308 0.82 GPR119 (0.44) GRIN2BGPR119CYP3A4SMN1; SMN2MMP2

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
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

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 362/4885GPR119 242/4885CYP3A4 724/4885

“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.