SCHEMBL13636255

SCHEMBL13636255

COc1ccc(C(C)(C)C)c(CC/C=C/CCCCOC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.33
CNR2 P34972 3/20 0.33
ADRA1A P35348 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LTB4R Q15722 2/20 0.31
LTB4R2 Q9NPC1 2/20 0.31
IDO1 P14902 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL13636253 0.96 ADRA1A (0.34) CNR1CNR2ADRA1ATAAR1NPC1
SCHEMBL13636254 0.86 HTR2A (0.35) CNR2ADRA1ATAAR1NPC1RAB9A
SCHEMBL13636256 0.86 HTR2A (0.35) CNR2ADRA1ATAAR1NPC1RAB9A
SCHEMBL13636325 0.78 NPC1 (0.34) CNR1CNR2ADRA1ATAAR1NPC1
SCHEMBL12894360 0.75 HTR2A (0.41) ADRA1ATAAR1HTR2AIDO1
SCHEMBL13636326 0.75 L3MBTL1 (0.40) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL13964141 0.70 ADRA1A (0.42) ADRA1ATAAR1HTR2AIDO1
SCHEMBL14850381 0.69 PTGS2 (0.44) ADRA1ATAAR1HTR2A
SCHEMBL13636302 0.69 SMN1; SMN2 (0.40) MEN1KMT2A
SCHEMBL14850093 0.68 TAAR1 (0.49) ADRA1ATAAR1HTR2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304385-B2 Macrocyclic tetrazolyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-8304385-B2 Macrocyclic tetrazolyl hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-11-06 US disclosed
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-04 US disclosed
US-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-06-04 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-20090142299-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS4, PRSS1, SPINT2 CNR1 2732/4885CNR2 3742/4885ADRA1A 4726/4885

“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.