SCHEMBL2365329

SCHEMBL2365329

O=C(OCc1cncs1)N1CCC(CCOc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.50
GRIN2B Q13224 11/20 0.49
CYP2D6 P10635 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP3A4 P08684 3/20 0.48
TEAD1 P28347 1/20 0.46
TEAD3 Q99594 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CHRM4 P08173 2/20 0.44
CYP2C19 P33261 1/20 0.43
YAP1 P46937 2/20 0.43

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
SCHEMBL2226508 0.94 FAAH (0.47) FAAHGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2226276 0.93 TEAD1 (0.53) FAAHGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2227630 0.92 TEAD1 (0.47) FAAHGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2228411 0.92 TEAD1 (0.49) FAAHGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2365346 0.91 GRIN2B (0.49) FAAHGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2285777 0.88 TEAD1 (0.44) FAAHGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2227860 0.88 GRIN2B (0.47) FAAHGRIN2BCYP3A4TEAD1TEAD3
SCHEMBL2227775 0.88 LMNA (0.47) FAAHGRIN2BCYP3A4TEAD1TEAD3
SCHEMBL2227973 0.87 TEAD1 (0.41) FAAHGRIN2BCYP2D6CYP2C9CYP3A4
SCHEMBL2365375 0.86 TEAD1 (0.41) FAAHGRIN2BCYP2D6CYP2C9CYP3A4

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 6 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
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 FAAH 1562/4885GRIN2B 362/4885CYP2D6 405/4885

“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.