SCHEMBL3469693

SCHEMBL3469693

CCOC(=O)[C@@]12C[C@H]1C=CCOCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3Cc4cccc(Cl)c4C3)C[C@H]1C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ RAMP1 O60894 3/20 0.31
▸ CALCRL Q16602 3/20 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
SCHEMBL3469691 1.00 ADRB3 (0.32) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3793400 0.94 CYP3A4 (0.34) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3793404 0.94 CYP3A4 (0.34) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3469581 0.93 ADRB3 (0.36) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3469583 0.93 ADRB3 (0.36) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3470553 0.92 CYP3A4 (0.34) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3470552 0.92 CYP3A4 (0.34) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL12784455 0.89 CYP3A4 (0.31) CYP3A4DDB1CRBN
SCHEMBL3472312 0.89 CYP3A4 (0.34) ADRB3ADRA2BADRA2CCYP3A4DDB1
SCHEMBL3472307 0.89 CYP3A4 (0.34) ADRB3ADRA2BADRA2CCYP3A4DDB1

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
EP-2177523-A1 Novel macrocyclic inhibitors of hepatitis c virus replication Intermune, Inc. (US) 2010-04-21 — — EP 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 ADRB3 4329/4885ADRA2B 4524/4885ADRA2C 4066/4885

“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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