SCHEMBL771853

SCHEMBL771853

[CH2]CN1CCCN(C(=O)OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.41
USP2 O75604 2/20 0.38
CYP2C9 P11712 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
CYP3A4 P08684 3/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 2/20 0.34
TSHR P16473 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
SCHEMBL772776 0.93 CYP2D6 (0.45) CYP2D6USP2CYP2C9L3MBTL1CYP1A2
SCHEMBL18886969 0.80
SCHEMBL2492512 0.80
SCHEMBL772577 0.79 PIK3CD (0.50) L3MBTL1CYP1A2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20097555 0.79 USP2 (0.45) CYP2D6USP2CYP2C9L3MBTL1CYP1A2
SCHEMBL17424645 0.78 CYP2D6 (0.51) CYP2D6CYP2C9CYP1A2ALDH1A1PRMT5
Hydrochloric Acid SCHEMBL3855897 0.78
SCHEMBL771744 0.78 HRH2 (0.45) CYP2D6USP2L3MBTL1ALDH1A1MAPT
SCHEMBL15046533 0.76 CYP2D6 (0.53) CYP2D6USP2CYP2C9CYP1A2ALDH1A1
SCHEMBL2263812 0.76

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 6 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

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 CYP2D6 1478/4885USP2 3512/4885CYP2C9 976/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CYP2D6 1478/4885USP2 3512/4885CYP2C9 976/4885

“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.