SCHEMBL2228626

SCHEMBL2228626

O=C(OCc1nccs1)N1CCC(CCOc2ccc3ccccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 8/20 0.48
KCNA5 P22460 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
TEAD1 P28347 1/20 0.42
TEAD3 Q99594 1/20 0.42
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 2/20 0.39
SLC6A2 P23975 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
Trifluoroacetic Acid SCHEMBL2287813 0.95 GRIN2B (0.47) GRIN2BKCNA5MMP2MMP9TEAD1
SCHEMBL2227752 0.92 GRIN2B (0.44) GRIN2BKCNA5MMP2MMP9MAPT
SCHEMBL2229512 0.91 MAPT (0.50) GRIN2BMMP2MMP9RAB9AMAPT
SCHEMBL2227267 0.91 GRIN2B (0.44) GRIN2BMMP2MMP9TEAD1TEAD3
SCHEMBL2229355 0.91 GRIN2B (0.42) GRIN2BKCNA5MMP2MMP9TEAD1
SCHEMBL2228034 0.88 GRIN2B (0.41) GRIN2BKCNA5MMP2MMP9TEAD1
SCHEMBL2229199 0.88 MMP2 (0.46) GRIN2BMMP2MMP9RAB9AMAPT
SCHEMBL2229417 0.88 GRIN2B (0.52) GRIN2BMMP2MMP9TEAD1TEAD3
SCHEMBL2230339 0.87 GRIN2B (0.45) GRIN2BMMP2MMP9TEAD1TEAD3
SCHEMBL2227100 0.87 GRIN2B (0.49) GRIN2BMMP2MMP9TEAD1TEAD3

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 7 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
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 GRIN2B 362/4885KCNA5 259/4885MMP2 2880/4885

“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.