SCHEMBL2226871

SCHEMBL2226871

O=C(OCc1nccs1)N1CCC(CCOc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MEN1 O00255 1/20 0.49
GRIN2B Q13224 2/20 0.44
TRPA1 O75762 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CHRM4 P08173 1/20 0.41
SPR P35270 1/20 0.41
LMNA P02545 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
TEAD1 P28347 1/20 0.40
TEAD3 Q99594 1/20 0.40
MAPT P10636 1/20 0.40
MGLL Q99685 1/20 0.40
FFAR1 O14842 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL2228955 0.93 GRIN2B (0.43) KMT2ANPC1RAB9AMEN1GRIN2B
SCHEMBL2227100 0.86 GRIN2B (0.49) GRIN2BCHRM4KDM4EALDH1A1GAA
SCHEMBL2228953 0.86 GRIN2B (0.49) GRIN2BTRPA1CHRM4ALDH1A1TEAD1
SCHEMBL2230339 0.86 GRIN2B (0.45) NPC1RAB9AGRIN2BGAATEAD1
SCHEMBL2227943 0.85 MGLL (0.48) GRIN2BCHRM4TEAD1TEAD3MGLL
SCHEMBL2228626 0.84 GRIN2B (0.48) KMT2ANPC1RAB9AMEN1GRIN2B
Trifluoroacetic Acid SCHEMBL2287813 0.83 GRIN2B (0.47) KMT2ANPC1RAB9AMEN1GRIN2B
SCHEMBL2231126 0.83 GRIN2B (0.44) GRIN2BTEAD1TEAD3
SCHEMBL2227859 0.83 RAB9A (0.49) KMT2ANPC1RAB9AMEN1GRIN2B
SCHEMBL2230111 0.83 GRIN2B (0.48) KMT2AMEN1GRIN2BCHRM4ALDH1A1

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 KMT2A 1095/4885NPC1 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.