SCHEMBL4823397

SCHEMBL4823397

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cccnc1-3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
MMP12 P39900 1/20 0.42
SCN9A Q15858 7/20 0.41
NR1I2 O75469 1/20 0.38
CYP3A4 P08684 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CYP1A2 P05177 1/20 0.35
PDE4A P27815 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4829840 0.89 PRKCA (0.49) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL14253330 0.87 PRKCA (0.42) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL772035 0.87 PRKCA (0.54) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL771864 0.82 PRKCA (0.44) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL14253614 0.81 SCN9A (0.47) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL14263678 0.81 PRKCA (0.34) PRKCAMMP12SCN9APDE4A
SCHEMBL774184 0.79 NR1I2 (0.40) PRKCAMMP12SCN9ANR1I2ROCK2
SCHEMBL14253418 0.79 NR1I2 (0.46) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL771620 0.79 PRKCA (0.43) PRKCAMMP12SCN9ANR1I2CYP3A4
SCHEMBL772494 0.79 PRKCA (0.45) PRKCAMMP12NR1I2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885SCN9A 4635/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 PRKCA 3479/4885MMP12 3512/4885SCN9A 4635/4885

“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.