SCHEMBL2228953

SCHEMBL2228953

O=C(OCc1nccs1)N1CCC(CCOc2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.49
TEAD1 P28347 1/20 0.45
TEAD3 Q99594 1/20 0.45
FAAH O00519 1/20 0.43
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
CHRM4 P08173 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
TRPA1 O75762 1/20 0.41
HTR7 P34969 1/20 0.40
CYP2D6 P10635 4/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 3/20 0.39
CTSA P10619 2/20 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
SCHEMBL2229417 0.92 GRIN2B (0.52) GRIN2BTEAD1TEAD3FAAHCYP3A4
SCHEMBL2227100 0.91 GRIN2B (0.49) GRIN2BTEAD1TEAD3FAAHCYP3A4
SCHEMBL13837118 0.91 HRH2 (0.46) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2230339 0.87 GRIN2B (0.45) GRIN2BTEAD1TEAD3FAAHSMN1; SMN2
SCHEMBL2228626 0.87 GRIN2B (0.48) GRIN2BTEAD1TEAD3FAAHCYP3A4
SCHEMBL2226871 0.86 KMT2A (0.49) GRIN2BTEAD1TEAD3CHRM4HRH3
SCHEMBL2227943 0.86 MGLL (0.48) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2229565 0.85 GRIN2B (0.51) GRIN2BTEAD1TEAD3FAAHCYP3A4
SCHEMBL2363549 0.85 GRIN2B (0.58) GRIN2BTEAD1TEAD3FAAHCYP3A4
SCHEMBL2228955 0.85 GRIN2B (0.43) GRIN2BTEAD1TEAD3FAAHCYP3A4

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 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.