SCHEMBL5447955

SCHEMBL5447955

CNC(=O)COC(=O)N1CCC(O)(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
OPRL1 P41146 3/20 0.42
S1PR2 O95136 3/20 0.42
DRD2 P14416 1/20 0.41
OPRM1 P35372 3/20 0.39
CCR1 P32246 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD4 P21917 1/20 0.38
HRH2 P25021 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CHRM4 P08173 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
SCHEMBL5453462 0.88 SMN1; SMN2 (0.46) FAAHS1PR2DRD2CCR1DRD4
SCHEMBL5445764 0.87 FAAH (0.45) FAAHOPRL1DRD2OPRM1CHRM4
SCHEMBL5442739 0.86 FAAH (0.57) FAAHOPRL1S1PR2DRD2OPRM1
SCHEMBL5447927 0.85 SMN1; SMN2 (0.45) FAAHOPRL1OPRM1CCR1HRH2
SCHEMBL5452097 0.83 GAA (0.46) FAAHHRH2HRH1HRH3SMN1; SMN2
SCHEMBL5235210 0.83 L3MBTL1 (0.53) OPRL1S1PR2DRD2OPRM1CHRM4
SCHEMBL5443508 0.82 FAAH (0.46) FAAHS1PR2OPRM1CCR1ADRA2A
SCHEMBL5442748 0.82 FAAH (0.47) FAAHOPRL1S1PR2DRD2OPRM1
SCHEMBL5445830 0.82 FAAH (0.46) FAAHS1PR2DRD2OPRM1CCR1
SCHEMBL5238043 0.81 CA12 (0.50) FAAHDRD2DRD4HPGDSMN1; 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 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 1/4885OPRL1 375/4885S1PR2 970/4885

“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.