SCHEMBL7868914

SCHEMBL7868914

O=C1N[C@]2(C(=O)O)C[C@H]2/C=C\CCCCC[C@H](Nc2cccc(C(F)(F)F)c2)C(=O)N2C[C@H](Oc3nc4ccccc4s3)C[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ CTSB P07858 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ MAPT P10636 5/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ KCNJ6 P48051 1/20 0.31
▸ KCNJ5 P48544 1/20 0.31
▸ KCNJ3 P48549 1/20 0.31
▸ HTR1E P28566 1/20 0.31
▸ S1PR3 Q99500 1/20 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
SCHEMBL7871360 0.95 ADRB3 (0.45) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7866055 0.94 ADRB3 (0.42) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7866526 0.94 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7875219 0.94 ADRB3 (0.43) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7865805 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7869839 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7866634 0.93 ADRB3 (0.42) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7866653 0.93 ADRB3 (0.43) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL7875410 0.93 ADRB3 (0.39) ADRB3ADRA2BADRA2CCTSBCYP3A4
SCHEMBL13071908 0.93 ADRB3 (0.45) ADRB3ADRA2BADRA2CCTSBCYP3A4

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 7 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
WO-2009142842-A9 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2010-11-25 — — WO disclosed
WO-2009142842-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-26 — — WO 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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