SCHEMBL13636279

SCHEMBL13636279

CC(C)OCC(C)(C)CCCc1cccc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.35
BACE1 P56817 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
CYP2D6 P10635 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TACR1 P25103 1/20 0.34
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
ADRA2C P18825 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
CASR P41180 2/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL13636280 0.96 BCHE (0.34) BCHEBACE1SIGMAR1CYP2D6TP53
SCHEMBL13639115 0.82 TACR1 (0.38) BCHEBACE1TACR1HTTFDFT1
SCHEMBL13636267 0.80 HTR2C (0.38) BCHEBACE1SIGMAR1CYP2D6TP53
SCHEMBL13636301 0.80 HTR2C (0.38) BCHEBACE1SIGMAR1CYP2D6TP53
SCHEMBL13636300 0.80 HTR2C (0.38) BCHEBACE1SIGMAR1CYP2D6TP53
SCHEMBL10175764 0.76 TACR1 (0.43) BCHEBACE1SIGMAR1TACR1HTR2C
SCHEMBL13636290 0.75 PPARG (0.35) BCHEBACE1SIGMAR1CYP2D6TP53
SCHEMBL13636275 0.75 MEN1 (0.39) CYP3A4TACR1HTR2AHTTTAAR1
SCHEMBL12061428 0.74 TAAR1 (0.42) BCHEBACE1CYP1A2CYP2C19TACR1
SCHEMBL13636281 0.72 TRPV1 (0.33)

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 BCHE 1623/4885BACE1 736/4885SIGMAR1 3182/4885

“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.