SCHEMBL705608

SCHEMBL705608

CC(C)(C)N(C(=O)O)C1CCC(CCO)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.32
KDM7A Q6ZMT4 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ESR2 Q92731 1/20 0.32
HSD11B1 P28845 2/20 0.31

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
SCHEMBL705607 1.00 KDM5A (0.32) KDM5AKDM7AKDM4CPHF8KDM2A
SCHEMBL482044 0.87 NR1H2 (0.33)
SCHEMBL343055 0.87 NR1H2 (0.33)
SCHEMBL482043 0.87 NR1H2 (0.33)
SCHEMBL527479 0.84 DPP4 (0.30)
SCHEMBL4877014 0.84 HSD11B1 (0.33) KDM5AKDM7AKDM4CPHF8KDM2A
SCHEMBL2167298 0.84 KDM5A (0.31) KDM5AKDM7AKDM4CPHF8KDM2A
SCHEMBL16337286 0.84 HSD11B1 (0.33) KDM5AKDM7AKDM4CPHF8KDM2A
SCHEMBL2167294 0.84 KDM5A (0.31) KDM5AKDM7AKDM4CPHF8KDM2A
SCHEMBL16338311 0.83 KDM5A (0.36) KDM5AKDM7AKDM4CPHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682993-B2 Anticancer compounds ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-06-20 US disclosed
US-20160009728-A1 ANTICANCER COMPOUNDS ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2016-01-14 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP disclosed
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 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 (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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK KDM5A 1548/4885KDM7A 2992/4885KDM4C 3794/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A KDM5A 4161/4885KDM7A 3102/4885KDM4C 3290/4885
US-20160009728-A1 ANTICANCER COMPOUNDS MKI67, TP53, BAX KDM5A 3115/4885KDM7A 3538/4885KDM4C 2345/4885

“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.