SCHEMBL771405

SCHEMBL771405

[CH2]C(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 9/20 0.67
EPHX1 P07099 4/20 0.67
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FAAH O00519 1/20 0.48
JAK2 O60674 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL18884208 0.80 EPHX2 (0.73) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL3069160 0.80 EPHX2 (1.00) EPHX2EPHX1JAK2ALDH1A1LMNA
SCHEMBL6531345 0.80 ALDH1A1 (0.46) EPHX2EPHX1ALDH1A1
SCHEMBL1694443 0.78 EPHX2 (0.70) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL30500314 0.78 EPHX2 (0.70) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL4431734 0.76 EPHX2 (0.67) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL8392931 0.76 EPHX2 (0.67) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL1149916 0.76 EPHX2 (0.67) EPHX2EPHX1KMT2ASMN1; SMN2FAAH
SCHEMBL19757636 0.76 EPHX1 (0.68) EPHX2EPHX1KMT2ASMN1; SMN2LMNA
SCHEMBL133014 0.76 EPHX1 (0.68) EPHX2EPHX1KMT2ASMN1; SMN2LMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52010284-A None JP disclosed
JP-52010283-A None JP 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-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
CN-1498217-A Heterocyclic compounds for aging-related and diabetic vascular complications ������˹ҩƷ��˾ 2004-05-19 CN disclosed
US-4789674-A ALZHEIMER'S DISEASE, MEMORY, DEMENTIA CIBA-GEIGY CORPORATION (US) 1988-12-06 US disclosed
US-4758575-A Bi-2H-pyrroli(di)nediones CIBA-GEIGY CORPORATION (US) 1988-07-19 US disclosed
EP-0192255-A2 Bis-2H-pyrrolidine diones CIBA-GEIGY AG (CH) 1986-08-27 EP disclosed
JP-S5210284-A PROCESS FOR PREPARING PIPERAZINE DERIVATIVES TANABE SEIYAKU CO LTD 1977-01-26 JP disclosed
JP-S5210283-A A PROCESS FOR PREPARING PIPERAZINE DERIVATIVES TANABE SEIYAKU CO LTD 1977-01-26 JP 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 EPHX2 2282/4885EPHX1 3653/4885KMT2A 1865/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 EPHX2 2733/4885EPHX1 2426/4885KMT2A 2063/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 EPHX2 2282/4885EPHX1 3653/4885KMT2A 1865/4885

“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.