SCHEMBL772121

SCHEMBL772121

CCOC(=O)CCn1c(-c2ccc(Cl)cc2N)c(C2CCCCC2)c2ccc(C(=O)OC)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
CNR2 P34972 1/20 0.37
USP14 P54578 1/20 0.36
CXCR3 P49682 1/20 0.36
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 4/20 0.36
SCN9A Q15858 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL771574 0.90 SCN9A (0.37) CNR2USP14ALDH1A1KDM4ESCN9A
SCHEMBL792813 0.90 TSHR (0.36) ALOX15CNR2CXCR3ALDH1A1KDM4E
SCHEMBL10283556 0.86 P2RX3 (0.33) ALOX15CNR2CXCR3ALDH1A1KDM4E
SCHEMBL772713 0.81 CNR2 (0.42) ALOX15CNR2ALDH1A1KDM4ESCN9A
SCHEMBL3571468 0.80 FABP4 (0.41) CNR2ALDH1A1KDM4ESCN9ARAB9A
SCHEMBL792852 0.79 POLB (0.38) KDM4EPOLBPTGDRPTGDR2HSD17B10
SCHEMBL773522 0.78 ALDH1A1 (0.38) ALOX15CNR2USP14ALDH1A1KDM4E
SCHEMBL3073403 0.77 USP14 (0.39) CNR2USP14ALDH1A1KDM4ESCN9A
SCHEMBL10283234 0.76 PTGDR2 (0.35) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL3088640 0.75 PRKCA (0.40) CNR2ALDH1A1KDM4ESCN9ASMN1; SMN2

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
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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US 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 ALOX15 3471/4885CNR2 4449/4885USP14 3282/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALOX15 3471/4885CNR2 4449/4885USP14 3282/4885

“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.