SCHEMBL889092

SCHEMBL889092

Cc1cnc(NCC2CCCN2C(=O)OCc2ccccc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.53
GFER P55789 1/20 0.49
PREP P48147 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL889013 0.90 GRIN2B (0.53) GRIN2BPREPTSHRL3MBTL1KDM4E
SCHEMBL34473807 0.81 PREP (0.54) GFERPREPMEN1KMT2ATSHR
SCHEMBL22158059 0.81 PREP (0.54) GFERPREPMEN1KMT2ATSHR
SCHEMBL13060873 0.81 PREP (0.54) GFERPREPMEN1KMT2ATSHR
SCHEMBL5348471 0.81 GRIN2B (0.80) GRIN2B
SCHEMBL15937048 0.79 PREP (0.52) GFERPREPKMT2ATSHRL3MBTL1
SCHEMBL13006645 0.79 ACE2 (0.56) GFERPREPMEN1KMT2ATSHR
SCHEMBL10154291 0.78 FKBP1A (0.54) GFERPREPTSHRL3MBTL1KDM4E
SCHEMBL13853680 0.78 PREP (0.50) GFERPREPKMT2ATSHRL3MBTL1
SCHEMBL14366007 0.78 PREP (0.50) GFERPREPKMT2ATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110064697-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 GRIN2B 4821/4885GFER 1965/4885PREP 519/4885

“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.