SCHEMBL6357682

SCHEMBL6357682

CCCNC(=O)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 1.00
KDM4E B2RXH2 1/20 1.00
ALDH1A1 P00352 1/20 1.00
EPHX2 P34913 5/20 0.75
KMT2A Q03164 1/20 0.68

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
SCHEMBL12196028 1.00 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL2751260 0.98 EPHX1 (0.96) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL1108642 0.90 EPHX1 (0.81) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL15262988 0.90 EPHX1 (0.81) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL5020902 0.89 EPHX1 (0.90) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL7440101 0.87 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL14423989 0.87 EPHX1 (0.87) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL12216843 0.86 EPHX1 (0.74) EPHX1KDM4EALDH1A1EPHX2KMT2A
SCHEMBL1059134 0.86 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2
SCHEMBL652844 0.86 EPHX1 (1.00) EPHX1KDM4EALDH1A1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3427738-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2021-12-01 EP disclosed
EP-3427738-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Incorporated (US) 2019-01-16 EP disclosed
EP-3141252-B1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-07-25 EP disclosed
EP-3141252-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION Vertex Pharmaceuticals Inc. (US) 2017-03-15 EP disclosed
WO-2016167511-A2 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2016-10-20 WO disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
EP-1829876-A1 NITROGENEOUS TRICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2007-09-05 EP disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
EP-0846679-B1 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS CO LTD (JP) 2000-09-06 EP disclosed
US-5902899-A Process for preparing 1, 3-disubstituted urea SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-05-11 US disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
EP-0846679-A2 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-06-10 EP disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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 (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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 EPHX1 3379/4885KDM4E 4236/4885ALDH1A1 1477/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 EPHX1 3379/4885KDM4E 4236/4885ALDH1A1 1477/4885

“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.