SCHEMBL772555

SCHEMBL772555

[CH2]CN1CCN(C(=O)CC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.46
DRD3 P35462 1/20 0.44
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD11B1 P28845 3/20 0.40
EPHX2 P34913 2/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
GAA P10253 3/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA7 P36544 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2739418 0.83 BLM (0.57) BLMDRD3ALDH1A1TSHRMEN1
SCHEMBL20756575 0.83 BLM (0.57) BLMDRD3ALDH1A1TSHRMEN1
SCHEMBL180620 0.83
SCHEMBL84852 0.82 HSD11B1 (0.55) BLMDRD3ALDH1A1MEN1KMT2A
SCHEMBL1712544 0.79 L3MBTL1 (0.65) ALDH1A1MEN1KMT2APOLB
SCHEMBL24500534 0.78 DRD3 (0.51) BLMDRD3ALDH1A1TSHRMEN1
SCHEMBL772825 0.78 MAPT (0.43) ALDH1A1TSHRKMT2AGAAPOLB
SCHEMBL298255 0.77 PIK3CD (0.57) DRD3ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10076105 0.77 DRD3 (0.50) BLMDRD3ALDH1A1TSHRHSD11B1
SCHEMBL15499763 0.77 BLM (0.49) BLMDRD3ALDH1A1TSHRHSD11B1

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 7 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
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
WO-1994007869-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-04-14 WO 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 BLM 3415/4885DRD3 4250/4885ALDH1A1 750/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 BLM 3415/4885DRD3 4250/4885ALDH1A1 750/4885

“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.