SCHEMBL792010

SCHEMBL792010

COC[C@@H]1CCCN1C(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.53
PRMT5 O14744 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA5 P30532 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SPHK2 Q9NRA0 1/20 0.50
USP1 O94782 2/20 0.47
ADORA2A P29274 4/20 0.47
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL18767233 0.88 RAB9A (0.58) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL12302043 0.87 POLB (0.57) POLBRAB9ANPC1PRMT5MEN1
SCHEMBL16708323 0.87 POLB (0.57) POLBRAB9ANPC1PRMT5MEN1
SCHEMBL970132 0.86 POLB (0.56) POLBRAB9ANPC1PRMT5CHRNB2
SCHEMBL15359350 0.86 HTR7 (0.59) POLBRAB9ANPC1PRMT5MEN1
SCHEMBL970133 0.86 POLB (0.56) POLBRAB9ANPC1PRMT5CHRNB2
SCHEMBL12156486 0.86 POLB (0.59) POLBRAB9ANPC1PRMT5MEN1
SCHEMBL19354783 0.85 RAB9A (0.58) POLBRAB9ANPC1MEN1KMT2A
SCHEMBL5636471 0.85 CHRNB2 (0.49) POLBRAB9ACHRNB2CHRNA5CHRNA7
SCHEMBL5637493 0.85 CHRNB2 (0.49) POLBRAB9ACHRNB2CHRNA5CHRNA7

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 11 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 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
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 POLB 77/4885RAB9A 2410/4885NPC1 1131/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI POLB 88/4885RAB9A 1530/4885NPC1 1268/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI POLB 88/4885RAB9A 1530/4885NPC1 1268/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 POLB 77/4885RAB9A 2410/4885NPC1 1131/4885

“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.