SCHEMBL2227100

SCHEMBL2227100

O=C(OCc1nccs1)N1CCC(CCOc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.49
TEAD1 P28347 1/20 0.45
TEAD3 Q99594 1/20 0.45
CYP3A4 P08684 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
FAAH O00519 1/20 0.41
CSF1R P07333 1/20 0.41
KDR P35968 1/20 0.41
CHRM4 P08173 2/20 0.41
MGLL Q99685 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HTR2C P28335 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2228953 0.91 GRIN2B (0.49) GRIN2BTEAD1TEAD3CYP3A4SMN1; SMN2
SCHEMBL2230339 0.89 GRIN2B (0.45) GRIN2BTEAD1TEAD3SMN1; SMN2MMP2
SCHEMBL2228626 0.87 GRIN2B (0.48) GRIN2BTEAD1TEAD3CYP3A4SMN1; SMN2
SCHEMBL2226871 0.86 KMT2A (0.49) GRIN2BTEAD1TEAD3CHRM4MGLL
SCHEMBL2229417 0.86 GRIN2B (0.52) GRIN2BTEAD1TEAD3CYP3A4SMN1; SMN2
SCHEMBL2227943 0.86 MGLL (0.48) GRIN2BTEAD1TEAD3MMP2MMP9
SCHEMBL2363549 0.85 GRIN2B (0.58) GRIN2BTEAD1TEAD3CYP3A4SMN1; SMN2
SCHEMBL2228955 0.85 GRIN2B (0.43) GRIN2BTEAD1TEAD3CYP3A4SMN1; SMN2
SCHEMBL2227312 0.84 GRIN2B (0.55) GRIN2BTEAD1TEAD3CYP3A4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2287813 0.84 GRIN2B (0.47) GRIN2BTEAD1TEAD3CYP3A4SMN1; SMN2

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 9 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
CN-102803258-A Alkyl-heterocyclic carbamate derivatives, their preparation and therapeutic use SANOFI AVENTIS 2012-11-28 CN 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 GRIN2B 362/4885TEAD1 4192/4885TEAD3 3201/4885

“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.