SCHEMBL3970892

SCHEMBL3970892

CCOC(=O)[C@@]12C[C@H]1/C=C/CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N3CCc4ccccc4C3)C[C@H]1C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CYP3A4 P08684 2/20 0.35
▸ BCL2 P10415 1/20 0.34
▸ DRD2 P14416 4/20 0.33
▸ RAMP1 O60894 3/20 0.33
▸ CALCRL Q16602 3/20 0.33
▸ REN P00797 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KDM1A O60341 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
SCHEMBL3968939 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL3969664 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL8293634 1.00 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL3787948 0.96 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3787952 0.96 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3787944 0.96 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4RAMP1
SCHEMBL3965120 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL3965128 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL3965124 0.94 ADRB3 (0.45) ADRB3ADRA2BADRA2CCYP3A4BCL2
SCHEMBL3965585 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS NOVARTIS AG (CH) 2009-01-29 — — US claimed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 — — US disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 — — 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-20090029960-A1 MACROCYCLIC COMPOUNDS USEFUL AS BASE INHIBITORS SLC10A2, SLC10A1, ASAH2 ADRB3 2252/4885ADRA2B 2937/4885ADRA2C 1754/4885
US-20050267018-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