SCHEMBL13639129

SCHEMBL13639129

CCNCCCCCc1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
CHRM2 P08172 13/20 0.41
BCHE P06276 5/20 0.41
ACHE P22303 5/20 0.41
CHRM4 P08173 5/20 0.41
CHRM5 P08912 5/20 0.41
CHRM1 P11229 5/20 0.41
CHRM3 P20309 5/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
RECQL P46063 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40

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
SCHEMBL13639088 1.00 HTR2A (0.43) HTR2ACHRM2BCHEACHECHRM4
SCHEMBL11348933 0.83 HTR2A (0.47) HTR2A
SCHEMBL13636307 0.83 MEN1 (0.44) HTR2AMEN1KMT2ATDP1
SCHEMBL13636313 0.83 MEN1 (0.44) HTR2AMEN1KMT2ATDP1
SCHEMBL27935806 0.81 HTR2A (0.41) HTR2AMEN1KMT2A
SCHEMBL10961574 0.81 GABRA1 (0.46) HTR2AMEN1KMT2ASMN1; SMN2
SCHEMBL24797465 0.80 HTR2A (0.47) HTR2ACHRM2BCHEACHECHRM4
SCHEMBL13639096 0.80 TACR1 (0.37) HTR2ABCHEACHERECQLMEN1
SCHEMBL13639117 0.80 TACR1 (0.37) HTR2ABCHEACHERECQLMEN1
SCHEMBL13639086 0.77 CNR1 (0.36) HTR2AMEN1KMT2A

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 2 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-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 HTR2A 3343/4885CHRM2 4872/4885BCHE 1623/4885

“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.