SCHEMBL771420

SCHEMBL771420

COCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C9 P11712 1/20 0.48
SCN9A Q15858 1/20 0.48
BACE1 P56817 2/20 0.47
ACKR3 P25106 1/20 0.47
CTSD P07339 1/20 0.47
GLS O94925 2/20 0.47
HPGD P15428 1/20 0.46
FEN1 P39748 2/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
NR1H2 P55055 1/20 0.43
ALOX5AP P20292 1/20 0.43
KDM1A O60341 1/20 0.43
USP30 Q70CQ3 1/20 0.42
KAT7 O95251 2/20 0.42
KAT6A Q92794 1/20 0.42

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
SCHEMBL5232682 0.92 MEN1 (0.49) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL22175054 0.92 KDM4E (0.47) MEN1ALDH1A1MAPTKMT2ASCN9A
SCHEMBL22290470 0.87 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL772145 0.87 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL695894 0.87 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL5235533 0.86 MEN1 (0.49) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL6407123 0.86 MEN1 (0.53) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL771181 0.86 MEN1 (0.53) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL12844406 0.86 ALDH1A1 (0.53) MEN1ALDH1A1MAPTKMT2ACYP2C9
SCHEMBL792672 0.86 MEN1 (0.53) MEN1ALDH1A1MAPTKMT2ACYP2C9

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 8 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
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
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 MEN1 4753/4885ALDH1A1 750/4885MAPT 3389/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 MEN1 4753/4885ALDH1A1 750/4885MAPT 3389/4885

“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.