SCHEMBL771532

SCHEMBL771532

[CH2]CC(=O)N1CCN(OC)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 4/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 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
SCHEMBL12706371 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1POLBHTTHPGD
SCHEMBL12706397 0.80 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1POLBHPGDKMT2A
SCHEMBL12706358 0.79 SIGMAR1 (0.38) SMN1; SMN2ALDH1A1POLBHTTHPGD
SCHEMBL12706362 0.79 MAPT (0.45) SMN1; SMN2ALDH1A1POLBHPGDKMT2A
SCHEMBL771244 0.79 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1POLBHTTKMT2A
SCHEMBL12706357 0.78 L3MBTL1 (0.46) SMN1; SMN2ALDH1A1POLBHTTHPGD
SCHEMBL12706363 0.76 POLB (0.56) ALDH1A1POLBKMT2AHSD17B10MEN1
SCHEMBL12706439 0.76 KDM4E (0.39) SMN1; SMN2ALDH1A1POLBHTTHPGD
SCHEMBL12706445 0.76 MEN1 (0.42) SMN1; SMN2ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL196592 0.76 TDP1 (0.52) SMN1; SMN2ALDH1A1HTTHPGDKMT2A

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-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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US 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
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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 (3 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 SMN1; SMN2 4306/4885ALDH1A1 750/4885POLB 77/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 SMN1; SMN2 4399/4885ALDH1A1 351/4885POLB 308/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 SMN1; SMN2 4306/4885ALDH1A1 750/4885POLB 77/4885

“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.