SCHEMBL771838

SCHEMBL771838

[CH2]CN1CCC[C@@H](CCC(=O)N(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 4/20 0.38
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
BCHE P06276 2/20 0.35
KDM2B Q8NHM5 1/20 0.34
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 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
SCHEMBL772161 0.85 DPP4 (0.38) DPP4ALDH1A1BCHEKDM2BACHE
SCHEMBL771872 0.80 ACHE (0.35) ALDH1A1BCHEKDM2BACHEKMT2A
SCHEMBL772173 0.78 ACHE (0.46) DPP4ALDH1A1BCHEACHEKMT2A
SCHEMBL2202553 0.78 ACHE (0.46) DPP4ALDH1A1BCHEACHEKMT2A
SCHEMBL771718 0.76 SIGMAR1 (0.37) KMT2A
SCHEMBL772733 0.74 CYP2D6 (0.36) LMNAACHE
SCHEMBL771338 0.74 LSS (0.33)
SCHEMBL24127567 0.73 HPGD (0.48) DPP4ALDH1A1HSD11B1KMT2A
SCHEMBL8689463 0.73 HPGD (0.48) DPP4ALDH1A1HSD11B1KMT2A
SCHEMBL771696 0.72 ACHE (0.36) BCHEACHEKMT2A

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 6 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
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 DPP4 266/4885ALDH1A1 750/4885HSD11B1 1382/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DPP4 266/4885ALDH1A1 750/4885HSD11B1 1382/4885

“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.