SCHEMBL773018

SCHEMBL773018

[CH2]CC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
GLS O94925 2/20 0.49
HPGD P15428 1/20 0.49
BACE1 P56817 2/20 0.47
ACKR3 P25106 1/20 0.47
CTSD P07339 1/20 0.47
NR1H2 P55055 1/20 0.47
KDM1A O60341 1/20 0.45
FEN1 P39748 1/20 0.45
SCN9A Q15858 1/20 0.45
EPHX1 P07099 1/20 0.43
CYP2C9 P11712 1/20 0.43
PREP P48147 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL2002906 0.91 NR1H2 (0.49) MEN1ALDH1A1MAPTKMT2AHPGD
SCHEMBL1785894 0.86 NR1H2 (0.59) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL344915 0.86 NR1H2 (0.59) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL13059809 0.86 MEN1 (0.56) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL13059808 0.86 MEN1 (0.56) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL4975994 0.86 MEN1 (0.56) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL344916 0.86 NR1H2 (0.59) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL12125486 0.86 MEN1 (0.56) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL9974300 0.86 MEN1 (0.56) MEN1ALDH1A1MAPTKMT2AGLS
SCHEMBL23325142 0.85 MEN1 (0.54) MEN1ALDH1A1MAPTKMT2AGLS

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
CN-107163023-A A kind of preparation method of 5 Bromopyrimidine compound 湖南华腾制药有限公司 2017-09-15 CN disclosed
CN-101472904-B Diazepan derivatives modulators of chemokine receptors HOFFMANN LA ROCHE 2012-06-06 CN 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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.