SCHEMBL2228534

SCHEMBL2228534

O=C(OCc1nccs1)N1CCC(CCO)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.52
FAAH O00519 1/20 0.42
CYP3A4 P08684 3/20 0.42
GRM5 P41594 1/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C9 P11712 3/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
DRD3 P35462 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
SCHEMBL2230111 0.83 GRIN2B (0.48) GRIN2BFAAH
SCHEMBL2225788 0.83 ENPP2 (0.44) GRIN2BGRM5
SCHEMBL2229565 0.82 GRIN2B (0.51) GRIN2BFAAHCYP3A4CYP2D6CYP2C9
SCHEMBL2365495 0.81 GRIN2B (0.47) GRIN2BFAAH
SCHEMBL2227687 0.81 CHEK2 (0.47) GRIN2BFAAH
SCHEMBL2231126 0.81 GRIN2B (0.44) GRIN2BCYP3A4
SCHEMBL2229417 0.81 GRIN2B (0.52) GRIN2BFAAHCYP3A4CYP2D6CYP2C9
SCHEMBL2228626 0.80 GRIN2B (0.48) GRIN2BFAAHCYP3A4CYP2D6CYP2C9
SCHEMBL2227918 0.80 GRIN2B (0.44) GRIN2BGRM5HTR1A
SCHEMBL2228463 0.80 HRH2 (0.47) GRIN2B

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 5 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 disclosed
EP-2526100-B1 ALKYL-HETEROCYCLE CARBAMATE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI SA (FR) 2013-12-04 EP disclosed
CN-102803258-A Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SANOFI AVENTIS 2012-11-28 CN 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 1562/4885CYP3A4 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.