SCHEMBL2133115

SCHEMBL2133115

Cc1cc(C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5c(F)cccc5nc4C)CN3C2=O)on1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.40
▸ ADRB3 P13945 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ CTSS P25774 1/20 0.37

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
SCHEMBL2133121 1.00 CTSB (0.40) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2134803 0.93 CYP3A4 (0.46) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2134796 0.93 CYP3A4 (0.46) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2134365 0.92 CTSB (0.41) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2134357 0.92 CTSB (0.41) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2132903 0.91 CTSB (0.40) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2132899 0.91 CTSB (0.40) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL14837595 0.91 CTSB (0.43) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL14837598 0.91 CTSB (0.43) CTSBADRB3ADRA2BADRA2CCYP3A4
SCHEMBL2136058 0.91 ADRB3 (0.39) CTSBADRB3ADRA2BADRA2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 — — US claimed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 — — US disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 — — US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 — — US disclosed
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES 2014-09-25 — — US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 — — US disclosed
US-8748374-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE, INC. (US) 2014-06-10 — — US disclosed
EP-2576564-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Abbvie Inc. (US) 2013-04-10 — — EP disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 — — US disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 — — US disclosed
WO-2011156337-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 2011-12-15 — — 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 (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-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 CTSB 65/4885ADRB3 3933/4885ADRA2B 4558/4885
US-20140287992-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 CTSB 65/4885ADRB3 3933/4885ADRA2B 4558/4885

“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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