SCHEMBL8886

SCHEMBL8886

CCC(=O)NCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.57
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
CA9 Q16790 1/20 0.53
CYP2D6 P10635 1/20 0.52
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14241831 1.00 EPHX1 (0.57) EPHX1NPC1RAB9ACA12CA1
SCHEMBL9967995 0.98 EPHX1 (0.53) EPHX1NPC1RAB9ACA12CA1
SCHEMBL21941874 0.94 EPHX1 (0.48) EPHX1NPC1RAB9ACA12CA1
SCHEMBL25897083 0.89 SMN1; SMN2 (0.57) EPHX1NPC1RAB9ACA12CA1
SCHEMBL256679 0.89
SCHEMBL9202 0.84 EPHX1 (0.53) EPHX1NPC1RAB9ACA12CA1
SCHEMBL4761356 0.83 TDP1 (0.48) EPHX1NPC1RAB9AKDM4EPOLB
SCHEMBL14094370 0.82 TDP1 (0.47) EPHX1NPC1RAB9AKDM4EPOLB
SCHEMBL19151014 0.82 TDP1 (0.47) EPHX1NPC1RAB9AKDM4EPOLB
SCHEMBL13686045 0.82 TDP1 (0.47) EPHX1NPC1RAB9AKDM4EPOLB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109400573-B Benzo [ d ] [1,3] dioxole compound, preparation method and application thereof 中国人民解放军第二军医大学 2023-04-11 CN disclosed
EP-3555096-B1 IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES JANSSEN PHARMACEUTICA NV (BE) 2022-11-23 EP disclosed
EP-3433250-B1 HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-09-08 EP disclosed
US-11091591-B2 Carbohydrate ligands that bind to antibodies against glycoepitopes of glycosphingolipids UNIVERSITÄT BASEL (CH) 2021-08-17 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2021-03-23 US disclosed
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-12 US disclosed
US-20190327969-A1 HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-10-31 US disclosed
EP-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-01-24 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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
WO-2009134942-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG. (CH) 2009-11-05 WO disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 US disclosed
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-01 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

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

For each of this compound's patents that has machine-readable text (10 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 3379/4885NPC1 2654/4885RAB9A 703/4885
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO EPHX1 185/4885NPC1 1968/4885RAB9A 2417/4885
US-20090247734-A1 Chemically Derivatized CD4 and Uses Thereof CD4, CD40LG, CD14 EPHX1 3372/4885NPC1 3968/4885RAB9A 4442/4885
US-20190023666-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 EPHX1 2260/4885NPC1 4008/4885RAB9A 2816/4885
US-10954236-B2 Tyrosine amide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT EPHX1 810/4885NPC1 4064/4885RAB9A 619/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 EPHX1 2260/4885NPC1 4008/4885RAB9A 2816/4885
US-20200079774-A1 TYROSINE AMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT EPHX1 810/4885NPC1 4064/4885RAB9A 619/4885
US-20190327969-A1 HERBICIDES DDT, HPD, PDXK EPHX1 77/4885NPC1 4863/4885RAB9A 3340/4885
US-11091591-B2 Carbohydrate ligands that bind to antibodies against glycoepitopes of glycosphingolipids SIGLEC7, GBA2, GBA1 EPHX1 991/4885NPC1 755/4885RAB9A 1265/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 EPHX1 3379/4885NPC1 2654/4885RAB9A 703/4885

“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.