SCHEMBL3069823

SCHEMBL3069823

CCOC(=O)[C@@]12C[C@@H]1C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](Oc3nc4ccccc4nc3-c3ccccc3)C[C@H]1C(=O)N2

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ ADRA2C P18825 1/20 0.43
▸ CYP3A4 P08684 2/20 0.39
▸ CTSB P07858 1/20 0.33
▸ CKS1B P61024 1/20 0.31
▸ SKP1 P63208 1/20 0.31
▸ SKP2 Q13309 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ PDE4B Q07343 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
SCHEMBL3069819 1.00 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL6877023 0.94 ADRB3 (0.41) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL13783730 0.94 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL8314727 0.94 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL7926611 0.92 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL14175706 0.92 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL8025142 0.92 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL12669959 0.92 ADRB3 (0.44) ADRB3ADRA2BADRA2CCYP3A4
SCHEMBL13783722 0.92 ADRB3 (0.43) ADRB3ADRA2BADRA2CCYP3A4CTSB
SCHEMBL2159021 0.92 ADRB3 (0.43) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309279-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-04-12 — — US disclosed
US-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-05-29 — — US disclosed
US-8642538-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-02-04 — — US disclosed
US-8420596-B2 Macrocyclic hepatitis C serine protease inhibitors ABBOTT LABORATORIES (US) 2013-04-16 — — US disclosed
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. 2010-06-10 — — 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 (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-20140148573-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 ADRB3 3933/4885ADRA2B 4558/4885ADRA2C 3776/4885
US-20100144608-A1 Macrocyclic hepatitis C serine protease inhibitors TMPRSS15, PRSS1, SPINT2 ADRB3 3933/4885ADRA2B 4558/4885ADRA2C 3776/4885

“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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