SCHEMBL13619711

SCHEMBL13619711

O=C(O)C(CCC1CC1)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
DRD2 P14416 1/20 0.39
PTPRA P18433 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
IDH1 O75874 1/20 0.38
CNR2 P34972 4/20 0.38
CNR1 P21554 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL13619709 0.82 MEN1 (0.52) CYP2C19ALDH1A1CYP1A2KDM4EMEN1
SCHEMBL17073444 0.81 IDH1 (0.41) CYP2C19ALDH1A1KDM4EMEN1HPGD
SCHEMBL31067524 0.81 IDH1 (0.41) CYP2C19ALDH1A1KDM4EMEN1HPGD
SCHEMBL13619712 0.79 GAA (0.48) CYP2C19ALDH1A1CYP1A2KDM4EMEN1
SCHEMBL6664414 0.78 CYP1A2 (0.53) CYP2C19ALDH1A1CYP1A2NPSR1PTPRA
SCHEMBL13619713 0.78 GAA (0.44) CYP2C19ALDH1A1CYP1A2DRD2KDM4E
SCHEMBL10518849 0.77 CYP2C19 (0.49) CYP2C19ALDH1A1CYP1A2NPSR1PTPRA
SCHEMBL10528800 0.75 TSHR (0.41) CYP2C19ALDH1A1CYP1A2MEN1HPGD
SCHEMBL28193434 0.75 ALDH1A1 (0.49) CYP2C19ALDH1A1CYP1A2NPSR1KDM4E
SCHEMBL10701362 0.75 SMN1; SMN2 (0.46) CYP2C19ALDH1A1CYP1A2NPSR1PTPRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF CYP2C19 3230/4885ALDH1A1 1614/4885CYP1A2 1659/4885

“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.