SCHEMBL3062085

SCHEMBL3062085

Cc1cc(C(=O)N[C@H]2CCCCCC=C[C@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.46
▸ ADRB3 P13945 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ CTSS P25774 1/20 0.39
▸ CYP3A4 P08684 2/20 0.38
▸ RIPK1 Q13546 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ ALPI P09923 1/20 0.30
▸ ALPG P10696 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
SCHEMBL3062079 1.00 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL15509635 1.00 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3061921 1.00 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3061915 1.00 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL15643297 1.00 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL2800104 0.93 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL2800106 0.93 CTSB (0.42) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL2157642 0.91 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL3068073 0.91 CTSB (0.46) CTSBADRB3ADRA2BADRA2CCTSS
SCHEMBL2798638 0.91 CTSB (0.41) CTSBADRB3ADRA2BADRA2CCTSS

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-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 (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-20100144608-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.

Send feedback