SCHEMBL12558673

SCHEMBL12558673

C#Cc1ccc2[nH]c([C@@H]3C[C@@H](O)CN3C(=O)OC(C)(C)C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA6 Q16445 4/20 0.39
GABRA1 P14867 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRA4 P48169 2/20 0.39
GABRA3 P34903 2/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
PARP1 P09874 1/20 0.35
PTGES O14684 2/20 0.33
AR P10275 1/20 0.33
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL12798669 0.93 CYP1A2 (0.39) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL12798667 0.92 CYP1A2 (0.39) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL12849670 0.87 CYP1A2 (0.40) CYP1A2POLBCYP3A4CYP2C19PARP1
SCHEMBL571669 0.85 PTGES (0.44) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL571668 0.85 PTGES (0.44) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL26384460 0.83 YAP1 (0.41) CYP1A2POLBCYP3A4CYP2C19PARP1
SCHEMBL12558668 0.83 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL10201501 0.81 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL12373582 0.81 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA6GABRA1
SCHEMBL10200239 0.80 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA6GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653070-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-8653070-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 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 (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-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 GABRG2 4486/4885GABRB3 4026/4885GABRA5 4329/4885

“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.