SCHEMBL10313873

SCHEMBL10313873

C#CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 2/20 0.36
GPR119 Q8TDV5 3/20 0.35
HPGD P15428 1/20 0.33
STS P08842 1/20 0.32
RECQL P46063 1/20 0.32
CCR5 P51681 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
SCHEMBL12090756 0.86 HSD11B1 (0.37) HRH3HSD11B1GPR119HPGDRECQL
SCHEMBL4141358 0.82 PDK2 (0.35) PDK2
SCHEMBL16200883 0.81 DPP4 (0.39) HSD11B1HPGDCCR5
SCHEMBL25784228 0.78 DPP4 (0.35)
SCHEMBL21784356 0.78 GPR119 (0.46) HSD11B1GPR119
SCHEMBL22946501 0.76 MEN1 (0.33) HSD11B1CCR5
SCHEMBL10313874 0.76 GPR119 (0.39) PDK2HSD11B1GPR119
SCHEMBL22711094 0.76 NR1H2 (0.43) HSD11B1HPGDRECQL
SCHEMBL28465532 0.76 HSD11B1 (0.36) HSD11B1CCR5
SCHEMBL28473882 0.75 HSD11B1 (0.39) HRH3HSD11B1GPR119HPGDRECQL

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 6 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-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 PDK2 4773/4885HRH3 253/4885HSD11B1 2065/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 PDK2 4752/4885HRH3 337/4885HSD11B1 1963/4885

“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.