SCHEMBL771955

SCHEMBL771955

CC(C)(C)C(O)C1CCCN(C(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.33
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
FAP Q12884 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
CACNA1C Q13936 1/20 0.32
CHRM3 P20309 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL2882045 0.82
SCHEMBL28419314 0.81 CPN1 (0.41) CPN1CPB2CA1CA2CA12
SCHEMBL27158393 0.81 CPN1 (0.41) CPN1CPB2CA1CA2CA12
SCHEMBL4395125 0.81 CPN1 (0.41) CPN1CPB2CA1CA2CA12
SCHEMBL4395122 0.81 CPN1 (0.41) CPN1CPB2CA1CA2CA12
SCHEMBL27158660 0.81 CPN1 (0.41) CPN1CPB2CA1CA2CA12
SCHEMBL12514730 0.79 CPN1 (0.42) CPN1CPB2CA1CA2CA12
SCHEMBL20292571 0.78 CPN1 (0.36) CPN1CPB2CA1CA2CA12
SCHEMBL28022978 0.76 CPN1 (0.40) CPN1CPB2CA1CA2CA12
SCHEMBL28919899 0.75 CPN1 (0.42) CPN1CPB2ALDH1A1LMNADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CPN1 146/4885CPB2 385/4885CA1 3203/4885

“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.