SCHEMBL2229236

SCHEMBL2229236

O=C(OCc1nccs1)N1CCC(CCOc2cc(Br)ccc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.42
ALDH1A1 P00352 1/20 0.40
GRM5 P41594 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
F10 P00742 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
ENPP2 Q13822 3/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
FAAH O00519 1/20 0.35
CHRM4 P08173 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
SCHEMBL2228183 0.91 GRM5 (0.46) GRIN2BALDH1A1GRM5PPARGPPARD
SCHEMBL2229104 0.85 GRM5 (0.48) GRIN2BALDH1A1GRM5PPARGPPARD
SCHEMBL2227918 0.84 GRIN2B (0.44) GRIN2BALDH1A1GRM5MMP2MMP9
SCHEMBL2227732 0.84 GRIN2B (0.47) GRIN2BALDH1A1GRM5MMP2MMP9
SCHEMBL2228734 0.84 GRIN2B (0.46) GRIN2BALDH1A1GRM5FAAHCHRM4
SCHEMBL2228778 0.83 HTT (0.41) GRIN2BALDH1A1GRM5PPARGPPARD
SCHEMBL2229776 0.82 GRM5 (0.39) GRIN2BALDH1A1GRM5PPARGPPARD
SCHEMBL28088135 0.82 PPARG (0.40) ALDH1A1GRM5PPARGPPARDPPARA
SCHEMBL2225788 0.81 ENPP2 (0.44) GRIN2BGRM5ENPP2NOS1NOS2
SCHEMBL2230273 0.80 GRM5 (0.41) GRIN2BGRM5PPARGPPARDPPARA

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 9 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
CN-102803258-A Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SANOFI AVENTIS 2012-11-28 CN 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 362/4885ALDH1A1 1706/4885GRM5 124/4885

“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.