SCHEMBL13636301

SCHEMBL13636301

CC(C)OCCCCCCCc1cccc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.38
ADRA2C P18825 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
CASR P41180 2/20 0.38
CYP2D6 P10635 2/20 0.38
HTT P42858 2/20 0.38
MLNR O43193 1/20 0.38
ABCB11 O95342 1/20 0.38
ADRB1 P08588 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
CHRM3 P20309 1/20 0.38
GLRA1 P23415 1/20 0.38
AVPR2 P30518 1/20 0.38
HRH1 P35367 1/20 0.38
MC3R P41968 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
SCHEMBL13636300 1.00 HTR2C (0.38) HTR2CADRA2CSLC6A2SLC6A4OPRM1
SCHEMBL13636267 1.00 HTR2C (0.38) HTR2CADRA2CSLC6A2SLC6A4OPRM1
SCHEMBL13703299 0.83 LPL (0.40) PPARGPPARAL3MBTL1LPLLIPG
SCHEMBL13636280 0.82 BCHE (0.34) HTR2CADRA2CSLC6A2SLC6A4OPRM1
SCHEMBL22890897 0.81 HTR1A (0.37) HTR1AHTR7PPARGPPARALPL
SCHEMBL13636271 0.81 L3MBTL1 (0.53) HTTHTR1AHTR7PPARGTSHR
SCHEMBL13639039 0.81 PPARA (0.40) PPARGPPARAL3MBTL1LPLLIPG
SCHEMBL13639038 0.81 PPARA (0.40) PPARGPPARAL3MBTL1LPLLIPG
SCHEMBL13636290 0.80 PPARG (0.35) HTR2CADRA2CSLC6A2SLC6A4OPRM1
SCHEMBL13636279 0.80 BCHE (0.35) HTR2CADRA2CSLC6A2SLC6A4OPRM1

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 HTR2C 1577/4885ADRA2C 4450/4885SLC6A2 3366/4885

“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.