SCHEMBL3969323

SCHEMBL3969323

CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C/[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3CCc4cc(F)ccc4C3)CN2C1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ CYP3A4 P08684 2/20 0.36
▸ MOGAT2 Q3SYC2 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ BCL2 P10415 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ BRD3 Q15059 2/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ PDE4B Q07343 2/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SCN9A Q15858 2/20 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
SCHEMBL3969328 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4MOGAT2
SCHEMBL3969317 1.00 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4MOGAT2
SCHEMBL11975726 0.95 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4DPP8
SCHEMBL4201121 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4MOGAT2
SCHEMBL4201123 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4MOGAT2
SCHEMBL4201127 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4MOGAT2
SCHEMBL3975947 0.93 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL3975935 0.93 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL3974217 0.93 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL3975388 0.92 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4BCL2

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-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 — — US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 — — US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 — — 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 (4 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20090111969-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 ADRB3 4337/4885ADRA2B 4492/4885ADRA2C 3960/4885

“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.

Send feedback