SCHEMBL13617059

SCHEMBL13617059

COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)O)C[C@H]5/C=C\CCCCC[C@H](Nc5ccc(OC)nc5)C(=O)N4C3)nccc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.49
▸ ADRA2B P18089 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CYP3A4 P08684 3/20 0.40
▸ CTSB P07858 2/20 0.38
▸ ROCK2 O75116 2/20 0.33
▸ CTSS P25774 1/20 0.31
▸ EGFR P00533 2/20 0.31
▸ BTK Q06187 1/20 0.31
▸ ITK Q08881 1/20 0.31
▸ GRM4 Q14833 4/20 0.31
▸ SAE1 Q9UBE0 1/20 0.31
▸ UBA2 Q9UBT2 1/20 0.31

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
SCHEMBL13617061 0.93 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL8001496 0.91 CTSB (0.47) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7869280 0.88 ADRB3 (0.49) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13617069 0.86 ADRB3 (0.48) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13757826 0.86 ADRB3 (0.54) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7875375 0.83 ADRB3 (0.46) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7880803 0.82 ADRB3 (0.52) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7871842 0.82 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL2383782 0.82 CTSB (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL2383787 0.82 CTSB (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB

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-20090285773-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 — — US disclosed
US-20090285773-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-19 — — 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-20090285773-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL ADRB3 3508/4885ADRA2B 3612/4885ADRA2C 3036/4885

“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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