SCHEMBL82372

SCHEMBL82372

Cc1ccc(OCC2CCNCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.73
KDM1A O60341 10/20 0.65
SLC6A2 P23975 6/20 0.59
SLC6A4 P31645 6/20 0.59
KCNH2 Q12809 4/20 0.59
HTR3A P46098 2/20 0.59
SLC6A3 Q01959 3/20 0.59
MAOB P27338 1/20 0.56
AKT1 P31749 1/20 0.56
EP300 Q09472 1/20 0.53
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
RCOR1 Q9UKL0 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
SCHEMBL18842710 0.95 KDM1A (0.68) TDP1KDM1ASLC6A2SLC6A4KCNH2
SCHEMBL21618374 0.90 SLC6A2 (0.61) TDP1KDM1ASLC6A2SLC6A4KCNH2
SCHEMBL8930160 0.87 PARP15 (0.55) TDP1KDM1A
SCHEMBL2665020 0.87 PARP15 (0.55) TDP1KDM1A
Ammonia Solution, Strong SCHEMBL28413630 0.85 PARP15 (0.53) TDP1KDM1A
SCHEMBL18374444 0.83 PARP15 (0.57) TDP1KDM1A
SCHEMBL11164865 0.83 PARP15 (0.57) TDP1KDM1A
SCHEMBL13144645 0.83 TDP1 (0.51) TDP1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL3244911 0.82 SLC6A2 (0.77) TDP1KDM1ASLC6A2SLC6A4KCNH2
SCHEMBL3251238 0.82 TDP1 (0.68) TDP1KDM1ASLC6A2SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301267-B2 Compounds ASTRAZENECA AB (SE) 2019-05-28 US disclosed
US-9776987-B2 Amide derivatives for GPR119 agonist CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2017-10-03 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-20170260143-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2017-09-14 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-9688640-B2 Methods of treating cancer with a pyrazole derivative ASTRAZENECA AB (SE) 2017-06-27 US disclosed
US-20170129875-A1 AMIDE DERIVATIVES FOR GPR119 AGONIST CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-11 US disclosed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20150299134-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2015-10-22 US disclosed
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof ASTRAZENECA AB 2010-10-28 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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-10301267-B2 Compounds SLC10A1, CYP11B1, ABCB11 TDP1 3472/4885KDM1A 1928/4885SLC6A2 1038/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 TDP1 4530/4885KDM1A 4241/4885SLC6A2 4515/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 TDP1 713/4885KDM1A 997/4885SLC6A2 4381/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET TDP1 2357/4885KDM1A 2982/4885SLC6A2 4431/4885
US-20100273811-A1 N-[5-[2-(3,5-Dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-(3,4-dimethylpiperazin-1-yl)benzamide and Salts Thereof PKD1, SDHA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TDP1 2793/4885KDM1A 275/4885SLC6A2 3719/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TDP1 3026/4885KDM1A 984/4885SLC6A2 3698/4885
US-20170260143-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 TDP1 3833/4885KDM1A 2927/4885SLC6A2 1827/4885
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET TDP1 2357/4885KDM1A 2982/4885SLC6A2 4431/4885
US-20170129875-A1 AMIDE DERIVATIVES FOR GPR119 AGONIST GPR119, FFAR2, GLP1R TDP1 4807/4885KDM1A 2266/4885SLC6A2 863/4885
US-20150299134-A1 NOVEL COMPOUNDS SLC10A1, ABCB11, CYP11B1 TDP1 3833/4885KDM1A 2927/4885SLC6A2 1827/4885

“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.