SCHEMBL13636295

SCHEMBL13636295

CC(C)NC(C)(C)CCCCCc1cccc(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.37
CYP2D6 P10635 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR2C P28335 3/20 0.36
ADRA2C P18825 3/20 0.36
SLC6A4 P31645 3/20 0.36
DRD3 P35462 3/20 0.36
SLC6A2 P23975 2/20 0.36
OPRM1 P35372 2/20 0.36
CASR P41180 2/20 0.36
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL13639104 0.82 LPL (0.36) SIGMAR1ADRA2CSLC6A4DRD3HTR2A
SCHEMBL13636290 0.78 PPARG (0.35) SIGMAR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL13636300 0.74 HTR2C (0.38) SIGMAR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL13636301 0.74 HTR2C (0.38) SIGMAR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL13636267 0.74 HTR2C (0.38) SIGMAR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL9592544 0.74 CYP4F2 (0.49) HDAC1HDAC8BCHEACHEPPARG
SCHEMBL13636280 0.74 BCHE (0.34) SIGMAR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL13636292 0.74 MEN1 (0.40) CYP3A4HTTHTR2APPARGPPARA
SCHEMBL12061422 0.72 MAOA (0.52) DRD2HRH1HTR1D
SCHEMBL26030893 0.72 LPL (0.46) HTTBCHEACHEPPARGPPARA

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 SIGMAR1 3182/4885CYP2D6 563/4885TP53 1039/4885

“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.