SCHEMBL842083

SCHEMBL842083

CCCCN(CC)CCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.42
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL840929 0.93 KCNH2 (0.47) KCNH2KDM5AKDM4CPLA2G1BPLA2G2A
SCHEMBL841874 0.91 KCNH2 (0.50) KCNH2KDM5AKDM4CPLA2G1BPLA2G2A
SCHEMBL25018206 0.90 CA12 (0.34) KCNH2KDM5AKDM4CCA12CA1
SCHEMBL841865 0.90 CA12 (0.34) KCNH2KDM5AKDM4CCA12CA1
SCHEMBL13609859 0.88 KCNH2 (0.41) KCNH2KDM5AKDM4CCA12CA1
SCHEMBL841870 0.87 TSHR (0.33) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL10174210 0.86 FDPS (0.33) KCNH2KDM5AKDM4CCA12CA1
SCHEMBL866725 0.85 KCNH2 (0.31) KCNH2
SCHEMBL841251 0.82 ARG1 (0.36) KCNH2CHRM2HTR1AADRA2ACHRM1
SCHEMBL841265 0.82 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210100775-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2021-04-08 US disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20150258068-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2015-09-17 US disclosed
US-20150258068-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2015-09-17 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 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 (5 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-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 KCNH2 3688/4885KDM5A 276/4885KDM4C 233/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 KCNH2 3386/4885KDM5A 184/4885KDM4C 219/4885
US-20210100775-A1 COMBINATION THERAPIES DDIT3, MCL1, ERCC2 KCNH2 4785/4885KDM5A 332/4885KDM4C 280/4885
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 KCNH2 1504/4885KDM5A 3658/4885KDM4C 741/4885
US-20150258068-A1 COMBINATION THERAPIES HDAC1, HDAC8, HDAC5 KCNH2 4347/4885KDM5A 148/4885KDM4C 176/4885

“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.