Sugi Predict

Sugi Predict / Compounds / SCHEMBL14948527

SCHEMBL14948527

SCHEMBL14948527

CC(=O)c1ccc(Br)cc1NC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.46
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ AAK1 Q2M2I8 2/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ BACE1 P56817 3/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL16541368 0.87 PREP (0.47) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL20462077 0.87 PREP (0.47) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL18993180 0.87 PREP (0.47) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL203803 0.85 AAK1 (0.52) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL18993181 0.85 AAK1 (0.52) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL2707662 0.85 AAK1 (0.52) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL16004387 0.85 AAK1 (0.52) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL15406118 0.81 PREP (0.42) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL15406119 0.81 PREP (0.42) PREPCHRM2CHRM1CHRM3AAK1
SCHEMBL16276284 0.80 LMNA (0.40) AAK1USP30BACE1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9126986-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2015-09-08 — — US disclosed
US-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2014-12-04 — — US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 — — US disclosed
US-8815849-B2 Hetero-bicyclic derivatives as HCV inhibitors JANSSEN R&D IRELAND (IE) 2014-08-26 — — US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 — — US disclosed
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors JANSSEN R&D IRELAND (IL) 2013-05-16 — — 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-20140357626-A1 Hetero-Bicyclic Derivatives As HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 PREP 1254/4885CHRM2 4869/4885CHRM1 4727/4885
US-20130123244-A1 Hetero-Bicyclic Derivatives as HCV Inhibitors HAVCR2, ZC3HAV1, SUB1 PREP 1348/4885CHRM2 4868/4885CHRM1 4754/4885

“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.