SCHEMBL2229464

SCHEMBL2229464

O=C(OCc1cncs1)N1CCC(CCOc2cccc3cccnc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
GRIN2B Q13224 10/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MCHR1 Q99705 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL2229033 0.89 BDKRB2 (0.43) KDM4EGRIN2BMCHR1CYP3A4
SCHEMBL2229709 0.88 LMNA (0.48) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL2228277 0.87 GRIN2B (0.41) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL2228475 0.87 NR2F2 (0.45) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL2228295 0.87 MCHR1 (0.40) GRIN2BMCHR1CYP3A4CYP2D6CYP2C9
SCHEMBL2228348 0.84 HTT (0.39) GRIN2BGAACYP3A4CYP2D6CYP2C9
SCHEMBL2228770 0.84 GRIN2B (0.43) KDM4EGRIN2BHTR2ACYP3A4CYP2D6
SCHEMBL2228311 0.83 FAAH (0.44) KDM4EGRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL2365346 0.83 GRIN2B (0.49) GRIN2BCYP3A4CYP2D6CYP2C9
SCHEMBL2227876 0.83 MAPT (0.49) KDM4EGRIN2BMAPK1ATMCYP2D6

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 KDM4E 797/4885GRIN2B 362/4885ABL1 971/4885

“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.