SCHEMBL13798238

SCHEMBL13798238

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)c2ccc(Cl)s2)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4cccc(F)c4C3)CN2C1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ ADRB3 P13945 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ PSEN1 P49768 2/20 0.31
▸ PSEN2 P49810 2/20 0.31
▸ APH1B Q8WW43 2/20 0.31
▸ NCSTN Q92542 2/20 0.31
▸ APH1A Q96BI3 2/20 0.31
▸ PSENEN Q9NZ42 2/20 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
SCHEMBL8176697 0.95 ADRB3 (0.36) CYP3A4ADRB3ADRA2BADRA2CPSEN1
SCHEMBL11984154 0.95 ADRB3 (0.36) CYP3A4ADRB3ADRA2BADRA2CPSEN1
SCHEMBL13798354 0.94 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL4216883 0.94 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2CPSEN1
SCHEMBL8278159 0.94 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2CPSEN1
SCHEMBL3970613 0.94 ADRB3 (0.38) CYP3A4ADRB3ADRA2BADRA2CPSEN1
SCHEMBL13798264 0.93 CYP3A4 (0.40) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL8171523 0.93 CYP3A4 (0.40) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL11975797 0.93 CYP3A4 (0.40) CYP3A4ADRB3ADRA2BADRA2C
SCHEMBL13825120 0.93 CYP3A4 (0.40) CYP3A4ADRB3ADRA2BADRA2C

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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — US disclosed
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CYP3A4 1594/4885ADRB3 4329/4885ADRA2B 4524/4885

“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.

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