SCHEMBL2229417

SCHEMBL2229417

O=C(OCc1nccs1)N1CCC(CCOc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.52
TEAD1 P28347 1/20 0.47
TEAD3 Q99594 1/20 0.47
FAAH O00519 1/20 0.47
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
ACKR3 P25106 1/20 0.43
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHEK2 O96017 1/20 0.42
CYP2D6 P10635 3/20 0.41
CYP2C9 P11712 3/20 0.41
CHRM4 P08173 1/20 0.41

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 0.92 GRIN2B (0.49) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2363549 0.91 GRIN2B (0.58) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2227312 0.91 GRIN2B (0.55) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2365495 0.90 GRIN2B (0.47) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL13836967 0.90 HRH2 (0.50) GRIN2BMMP2HRH2HRH1
SCHEMBL2230111 0.88 GRIN2B (0.48) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2229565 0.88 GRIN2B (0.51) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2228626 0.88 GRIN2B (0.48) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2365578 0.87 GRIN2B (0.46) GRIN2BTEAD1TEAD3FAAHMMP2
SCHEMBL2227687 0.86 CHEK2 (0.47) GRIN2BTEAD1TEAD3FAAHMMP2

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.