SCHEMBL9980967

SCHEMBL9980967

CC(C)(C)OC(=O)N(Cc1ccc2ccc(=O)[nH]c2n1)C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
GPR119 Q8TDV5 5/20 0.35
HCAR1 Q9BXC0 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HTR2A P28223 5/20 0.33
PDK2 Q15119 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2C P28335 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
CETP P11597 1/20 0.33
SPR P35270 1/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL4131965 0.87 KDM1A (0.35) HTR2APDK2CYP1A2HTR2CCYP2C19
SCHEMBL9981734 0.80 HSD11B1 (0.36) HSD11B1GPR119HTR2APDK2
SCHEMBL10314065 0.76 GPR119 (0.42) HSD11B1GPR119NR1H4HTR2APDK2
SCHEMBL9980979 0.76 UBE2M (0.31) HTR2AUBE2MDCUN1D1
SCHEMBL4142075 0.75 PARP1 (0.41) CYP2C19KCNH2PARP1
SCHEMBL10285321 0.75 HSD11B1 (0.38) HSD11B1GPR119NR1H4HTR2APDK2
SCHEMBL2799351 0.72 PIK3CA (0.37) HSD11B1GPR119NR1H4HTR2APDK2
SCHEMBL10313839 0.71 PIK3CA (0.36) HSD11B1GPR119NR1H4HTR2APDK2
SCHEMBL2798209 0.70 LMNA (0.44) HSD11B1GPR119
SCHEMBL2794497 0.70 UBE2M (0.46) HSD11B1NR1H4UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 HSD11B1 2065/4885GPR119 1547/4885HCAR1 1208/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 HSD11B1 1963/4885GPR119 1597/4885HCAR1 1360/4885

“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.