SCHEMBL772181

SCHEMBL772181

[CH2]CN1CCN(CC)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
NPC1 O15118 2/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
BTK Q06187 1/20 0.31
P2RX7 Q99572 1/20 0.31
MCHR1 Q99705 1/20 0.31
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9848826 0.85 P2RX7 (0.39) PIK3CDNPC1RAB9APOLBBTK
SCHEMBL7896130 0.80 POLB (0.44) PIK3CDNPC1RAB9APOLBBTK
SCHEMBL24801766 0.77 KMT2A (0.41) PIK3CDNPC1RAB9APOLBMCHR1
SCHEMBL23875186 0.77 ALOX15 (0.38) PIK3CDNPC1RAB9APOLBBTK
SCHEMBL26815162 0.77 PIK3CD (0.53) PIK3CDNPC1RAB9APOLBP2RX7
SCHEMBL12188401 0.76 P2RX7 (0.39) PIK3CDBTKP2RX7TSHR
SCHEMBL14447389 0.76 MCHR1 (0.43) NPC1RAB9APOLBMCHR1
SCHEMBL772590 0.75 GAA (0.36) NPC1RAB9AGAA
SCHEMBL13850484 0.74 ALOX15 (0.40) PIK3CDNPC1RAB9APOLBP2RX7
SCHEMBL25147579 0.74 PIK3CD (0.35) PIK3CDNPC1RAB9APOLBMCHR1

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 PIK3CD 1700/4885NPC1 1131/4885RAB9A 2410/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 PIK3CD 1311/4885NPC1 2385/4885RAB9A 3278/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 PIK3CD 1700/4885NPC1 1131/4885RAB9A 2410/4885

“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.