SCHEMBL11983901

SCHEMBL11983901

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL13059109 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3969405 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3969410 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3969407 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13564289 0.92 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL11975732 0.92 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3968174 0.91 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13869122 0.91 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3968175 0.91 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL3968172 0.91 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION ARRAY BIOPHARMA, INC. (US) 2012-08-16 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — US disclosed
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-06-11 — — 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 (2 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-20120208995-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRB3 4572/4885ADRA2B 4492/4885ADRA2C 4004/4885
US-20090148407-A1 Novel Macrocyclic Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HCCS ADRB3 4531/4885ADRA2B 4489/4885ADRA2C 3998/4885

“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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