SCHEMBL2228778

SCHEMBL2228778

O=C(OCc1cncs1)N1CCC(CCOc2cc(Br)ccc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
GRM5 P41594 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
F10 P00742 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ENPP2 Q13822 3/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP3A4 P08684 2/20 0.36
GRIN2B Q13224 5/20 0.35
FAAH O00519 1/20 0.35
CHRM4 P08173 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL2229387 0.91 GRM5 (0.46) HTTGRM5PPARGPPARDPPARA
SCHEMBL2231163 0.86 GRM5 (0.48) HTTGRM5PPARGPPARDPPARA
SCHEMBL2228348 0.84 HTT (0.39) HTTGRM5ALDH1A1LMNANPC1
SCHEMBL2229236 0.83 GRIN2B (0.42) GRM5PPARGPPARDPPARAF10
SCHEMBL2229776 0.83 GRM5 (0.39) GRM5PPARGPPARDPPARAF10
SCHEMBL2227353 0.82 GRIN2B (0.41) NPC1RAB9ACYP3A4GRIN2BFAAH
SCHEMBL28088194 0.82 PPARG (0.40) HTTGRM5PPARGPPARDPPARA
SCHEMBL2227775 0.82 LMNA (0.47) HTTGRM5ALDH1A1ENPP2LMNA
SCHEMBL2228067 0.82 ENPP2 (0.45) GRM5ENPP2
SCHEMBL2228127 0.81 GRM5 (0.41) HTTGRM5PPARGPPARDPPARA

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 HTT 2237/4885GRM5 124/4885PPARG 1206/4885

“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.