SCHEMBL2226191

SCHEMBL2226191

O=C(OCc1cncs1)N1CCC(CCOc2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 12/20 0.45
FAAH O00519 1/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
CYP3A4 P08684 3/20 0.44
CHRM4 P08173 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH1 P35367 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2365346 0.90 GRIN2B (0.49) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2226508 0.88 FAAH (0.47) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2228311 0.86 FAAH (0.44) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2228770 0.85 GRIN2B (0.43) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2226276 0.85 TEAD1 (0.53) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2365329 0.85 FAAH (0.50) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2229709 0.84 LMNA (0.48) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2228972 0.83 GRIN2B (0.43) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2229065 0.83 PTGDR2 (0.40) GRIN2BFAAHCYP2D6CYP2C9CYP3A4
SCHEMBL2229233 0.83 GRIN2B (0.53) GRIN2BFAAHCYP2D6CYP2C9CYP3A4

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN claimed
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
CN-105837565-A ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION 赛诺菲 2016-08-10 CN disclosed
CN-102803258-B Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SAI NUOFEI (FR) 2016-04-20 CN disclosed
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 362/4885FAAH 1562/4885CYP2D6 405/4885

“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.