SCHEMBL8172602

SCHEMBL8172602

CCOC(=O)[C@@]12C[C@H]1/C=C\CCCCC[C@H](NC(=O)C(F)(F)F)C(=O)N1CCC[C@H]1C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ DPP4 P27487 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ XIAP P98170 2/20 0.31
▸ BIRC3 Q13489 2/20 0.31
▸ BIRC2 Q13490 2/20 0.31
▸ FPR1 P21462 1/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL8002864 0.89 ADRB3 (0.36) ADRB3ADRA2BADRA2CGAAHSD17B10
SCHEMBL3792590 0.89 ADRB3 (0.36) ADRB3ADRA2BADRA2CGAAHSD17B10
SCHEMBL1683122 0.89 ADRB3 (0.36) ADRB3ADRA2BADRA2CGAAHSD17B10
SCHEMBL8005984 0.89 ADRB3 (0.36) ADRB3ADRA2BADRA2CGAAHSD17B10
SCHEMBL1683120 0.89 ADRB3 (0.36) ADRB3ADRA2BADRA2CGAAHSD17B10
SCHEMBL1645088 0.89 ADRB3 (0.36) ADRB3ADRA2BADRA2CGAAHSD17B10
SCHEMBL13059221 0.89 ADRB3 (0.36) ADRB3ADRA2BADRA2CGAAHSD17B10
SCHEMBL8170856 0.89 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL11975940 0.85 HDAC4 (0.33) ADRB3ADRA2BADRA2CGAAHSD17B10
SCHEMBL8249373 0.84 DPP4 (0.37) DPP4GAAHSD17B10ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. 2009-06-18 — — US disclosed
WO-2008137779-A2 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-11-13 — — 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 (1 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-20090155209-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ADRB3 4329/4885ADRA2B 4524/4885ADRA2C 4066/4885

“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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