SCHEMBL7875179

SCHEMBL7875179

O=C1N[C@]2(C(=O)O)C[C@H]2/C=C\CCCCC[C@H](Nc2cc(F)cc(C(F)(F)F)c2)C(=O)N2C[C@H](Oc3nccc4ccccc34)C[C@@H]12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ CTSB P07858 1/20 0.32
▸ UBE2M P61081 1/20 0.30
▸ DCUN1D1 Q96GG9 1/20 0.30
▸ RET P07949 1/20 0.30
▸ BTK Q06187 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
SCHEMBL7874170 0.93 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7870065 0.91 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7868803 0.90 CYP3A4 (0.54) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7875375 0.90 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7865823 0.90 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7874145 0.87 ADRB3 (0.42) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7866653 0.86 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7877051 0.86 CYP3A4 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7869280 0.85 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7872311 0.85 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 — — US disclosed
US-8048862-B2 Macrocyclic inhibitors of hepatitis C virus replication INTERMUNE, INC. (US) 2011-11-01 — — US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 — — US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 — — US disclosed
US-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-10-29 — — 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-20090269305-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4326/4885ADRA2B 4470/4885ADRA2C 3995/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4326/4885ADRA2B 4470/4885ADRA2C 3995/4885

“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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