SCHEMBL996972

SCHEMBL996972

CCOC(=O)C12CC1C=CCCCCCN(Cc1ccc(OC)cc1)C(=O)N1CC(O[Si](C)(C)C(C)(C)C)CC1C(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CTSB P07858 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL996969 1.00 ADRB3 (0.33) ADRB3ADRA2BADRA2CCYP3A4ALDH1A1
SCHEMBL13502618 1.00 ADRB3 (0.33) ADRB3ADRA2BADRA2CCYP3A4ALDH1A1
SCHEMBL13502619 0.92 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3528216 0.92 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL3528221 0.92 ADRB3 (0.38) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL4166428 0.92 ADRB3 (0.33) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL995273 0.88 ALDH1A1 (0.34) ADRB3ADRA2BADRA2CALDH1A1L3MBTL1
SCHEMBL995274 0.88 ALDH1A1 (0.34) ADRB3ADRA2BADRA2CALDH1A1L3MBTL1
SCHEMBL8249055 0.88 ALDH1A1 (0.34) ADRB3ADRA2BADRA2CALDH1A1L3MBTL1
SCHEMBL995888 0.87 ALDH1A1 (0.36) ADRB3ADRA2BADRA2CALDH1A1L3MBTL1

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
EP-1919898-B1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARM LTD (IE) 2011-01-26 — — EP disclosed
US-7666834-B2 Macrocyclic inhibitors of hepatitis C virus TIBOTEC PHARMACEUTICALS LTD. (IE) 2010-02-23 — — US disclosed
US-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus JANSSEN SCIENCES IRELAND UC (IE) 2009-04-23 — — 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-20090105302-A1 Macrocylic Inhibitors of Hepatitis C Virus HCCS, CBR1, CYP2B6 ADRB3 2043/4885ADRA2B 3242/4885ADRA2C 2352/4885

“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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