SCHEMBL2228627

SCHEMBL2228627

O=C(OCc1cncs1)N1CCC(CCOc2cccc(C(F)(F)C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TEAD1 P28347 1/20 0.39
TEAD3 Q99594 1/20 0.39
GRIN2B Q13224 11/20 0.39
CHRM4 P08173 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
FAAH O00519 1/20 0.36
CYP3A4 P08684 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
SCHEMBL2227859 0.93 RAB9A (0.49) MEN1NPC1RAB9AKMT2ATEAD1
SCHEMBL2226276 0.86 TEAD1 (0.53) NPC1RAB9ATEAD1TEAD3GRIN2B
SCHEMBL2228392 0.85 TEAD1 (0.45) RAB9ATEAD1TEAD3GRIN2BCHRM4
SCHEMBL2229063 0.85 GPR119 (0.41) MEN1NPC1RAB9AKMT2ATEAD1
SCHEMBL2229682 0.85 TEAD1 (0.45) TEAD1TEAD3GRIN2BCHRM4FAAH
SCHEMBL2365537 0.84 LIPE (0.44) TEAD1TEAD3GRIN2BGPR119FAAH
SCHEMBL2230299 0.84 MEN1 (0.41) MEN1NPC1RAB9AKMT2ATEAD1
SCHEMBL2365529 0.84 CYP3A4 (0.40) TEAD1TEAD3GRIN2BGPR119FAAH
SCHEMBL2228955 0.84 GRIN2B (0.43) MEN1NPC1RAB9AKMT2ATEAD1
SCHEMBL2227968 0.84 MGLL (0.47) TEAD1TEAD3CHRM4FAAH

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 MEN1 880/4885NPC1 1439/4885RAB9A 443/4885

“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.