SCHEMBL12730850

SCHEMBL12730850

C[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)O)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ NPC1 O15118 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32

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
SCHEMBL12777041 1.00 ADRB3 (0.39) ADRB3ADRA2BADRA2CNPC1GMNN
SCHEMBL16512401 0.89 ADRB3 (0.38) ADRB3ADRA2BADRA2C
SCHEMBL11975703 0.88 ADRB3 (0.34) ADRB3ADRA2BADRA2CNPC1GMNN
SCHEMBL12730861 0.88 ADRB3 (0.34) ADRB3ADRA2BADRA2CNPC1GMNN
SCHEMBL11975943 0.85 ADRB3 (0.35) ADRB3ADRA2BADRA2C
SCHEMBL12730368 0.85 CTSB (0.33) ADRB3ADRA2BADRA2C
SCHEMBL2158325 0.84 ADRB3 (0.34) ADRB3ADRA2BADRA2C
SCHEMBL12731025 0.84 CYP3A4 (0.41) ADRB3ADRA2BADRA2C
SCHEMBL7873466 0.84 ADRB3 (0.40) ADRB3ADRA2BADRA2C
SCHEMBL12618532 0.83 ADRB3 (0.52) ADRB3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 — — 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 (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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 ADRB3 4633/4885ADRA2B 4556/4885ADRA2C 4011/4885

“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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