SCHEMBL5453583

SCHEMBL5453583

CNC(=O)COC(=O)N1CCC(CCCc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.67
ENPP2 Q13822 3/20 0.47
P2RX3 P56373 1/20 0.43
MAOB P27338 1/20 0.42
YAP1 P46937 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GRIN2B Q13224 1/20 0.41
TEAD1 P28347 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NAAA Q02083 1/20 0.39
SLC2A1 P11166 1/20 0.38
TGFBR1 P36897 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL5450185 0.94 FAAH (0.77) FAAHENPP2P2RX3MAOBYAP1
SCHEMBL5451889 0.88 FAAH (0.57) FAAHENPP2MAOBHDAC1HDAC8
SCHEMBL5447729 0.87 FAAH (0.88) FAAHENPP2P2RX3MAOB
SCHEMBL4308368 0.83 HRH3 (0.53) FAAHENPP2HDAC1HDAC8HRH3
SCHEMBL5451896 0.82 FAAH (0.65) FAAHMAOBTEAD1
SCHEMBL5447912 0.82 FAAH (0.62) FAAHHDAC1HDAC8
SCHEMBL13279636 0.81 GPR119 (0.52) FAAHTGFBR1
SCHEMBL5451937 0.81 FAAH (1.00) FAAHENPP2P2RX3MAOB
SCHEMBL2463086 0.80 FAAH (0.52) FAAHYAP1HDAC1CYP11B1CYP11B2
SCHEMBL5455256 0.80 FAAH (0.68) FAAHENPP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021405-A1 ARYL- AND HETEROARYLPIPERIDINECARBOXYLATE-DERIVATIVES METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 US 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-20070021405-A1 ARYL- AND HETEROARYLPIPERIDINECARBOXYLATE-DERIVATIVES METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, HRH2 FAAH 1/4885ENPP2 14/4885P2RX3 1264/4885

“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.