SCHEMBL771892

SCHEMBL771892

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
POLB P06746 1/20 0.38
P2RX3 P56373 2/20 0.37
P2RX2 Q9UBL9 2/20 0.37
EPHX2 P34913 1/20 0.37
GRM3 Q14832 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLS O94925 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL12914772 0.85 KMT2A (0.41) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL26355349 0.85 VNN1 (0.44) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL13198930 0.85 KMT2A (0.41) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL17756665 0.85 RAB9A (0.51) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL773018 0.83 MEN1 (0.54) KMT2AMEN1ALDH1A1GLSHPGD
SCHEMBL12909936 0.82 KMT2A (0.41) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL12945380 0.82 ALDH1A1 (0.41) KMT2ANPC1RAB9AKDM4EMEN1
Hydrochloric Acid SCHEMBL28517548 0.82 KMT2A (0.39) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL772655 0.81 CYP4F2 (0.39) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL771084 0.79 BRD4 (0.48) KMT2AKDM4ECHRNB2CHRNA4CHRNB4

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 KMT2A 1865/4885NPC1 1131/4885RAB9A 2410/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 KMT2A 2063/4885NPC1 2385/4885RAB9A 3278/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KMT2A 1865/4885NPC1 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.