SCHEMBL8276998

SCHEMBL8276998

CC(C)(C)OC(=O)N[C@H]1CCCCCCC[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3CCc4ccccc4C3)CN2C1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAMP1 O60894 3/20 0.37
▸ CALCRL Q16602 3/20 0.37
▸ DRD2 P14416 3/20 0.36
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ REN P00797 1/20 0.34
▸ PRMT5 O14744 3/20 0.33
▸ WDR77 Q9BQA1 3/20 0.33
▸ UCHL1 P09936 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ HPGDS O60760 1/20 0.33

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
SCHEMBL13881545 1.00 RAMP1 (0.37) RAMP1CALCRLDRD2ADRB3ADRA2B
SCHEMBL3969014 1.00 RAMP1 (0.37) RAMP1CALCRLDRD2ADRB3ADRA2B
SCHEMBL13896379 0.91 POLB (0.37) RAMP1CALCRLADRB3ADRA2BADRA2C
SCHEMBL3967105 0.90 RAMP1 (0.33) RAMP1CALCRLDRD2BCL2REN
SCHEMBL8279045 0.90 RAMP1 (0.33) RAMP1CALCRLDRD2BCL2REN
SCHEMBL3975388 0.90 ADRB3 (0.46) RAMP1CALCRLDRD2ADRB3ADRA2B
SCHEMBL3965581 0.90 ADRB3 (0.46) RAMP1CALCRLDRD2ADRB3ADRA2B
SCHEMBL3975386 0.90 ADRB3 (0.46) RAMP1CALCRLDRD2ADRB3ADRA2B
SCHEMBL3965585 0.90 ADRB3 (0.46) RAMP1CALCRLDRD2ADRB3ADRA2B
SCHEMBL3975382 0.90 ADRB3 (0.46) RAMP1CALCRLDRD2ADRB3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2407470-A2 Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication F. Hoffmann-La Roche Ltd. (CH) 2012-01-18 — — EP disclosed
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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 — — US disclosed
WO-2005095403-A2 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2005-10-13 — — WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 — — WO 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 RAMP1 3200/4885CALCRL 4282/4885DRD2 4860/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 RAMP1 3200/4885CALCRL 4282/4885DRD2 4860/4885

“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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