SCHEMBL2228295

SCHEMBL2228295

N#Cc1ccc2cccc(OCCC3CCN(C(=O)OCc4cncs4)CC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
SRC P12931 1/20 0.37
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
GRIN2B Q13224 10/20 0.35
MGLL Q99685 1/20 0.35
FAAH O00519 1/20 0.34
CHRM4 P08173 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL2229033 0.88 BDKRB2 (0.43) MCHR1CYP3A4LMNAGRIN2B
SCHEMBL2229464 0.87 KDM4E (0.44) MCHR1CYP3A4GRIN2BCYP2D6CYP2C9
SCHEMBL2227847 0.85 GRIN2B (0.41) MCHR1SRCGRIN2BMGLLFAAH
SCHEMBL2228495 0.85 MCHR1 (0.41) MCHR1SRCGRIN2BMGLLFAAH
SCHEMBL2229709 0.83 LMNA (0.48) CYP3A4LMNAGRIN2BFAAHCHRM4
SCHEMBL2229765 0.82 CHRM4 (0.39) CYP3A4GRIN2BMGLLCHRM4
SCHEMBL2228475 0.81 NR2F2 (0.45) CYP3A4LMNAGRIN2BFAAHCYP2D6
SCHEMBL2227973 0.81 TEAD1 (0.41) CYP3A4LMNAGRIN2BFAAHCYP2D6
SCHEMBL2228348 0.80 HTT (0.39) CYP3A4LMNAGRIN2BFAAHCHRM4
SCHEMBL2228770 0.80 GRIN2B (0.43) CYP3A4GRIN2BFAAHCHRM4CYP2D6

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 8 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
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 MCHR1 901/4885SRC 2850/4885CYP3A4 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.