SCHEMBL10313876

SCHEMBL10313876

CC(C)(C)OC(=O)N(CC#Cc1cnccn1)C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.34
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL12090758 0.85 GPR119 (0.41) GPR119
SCHEMBL4136295 0.85 HAO1 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL10313874 0.83 GPR119 (0.39) GPR119
SCHEMBL10314189 0.80 MAPKAPK2 (0.38) GPR119SLC6A2SLC6A4SLC6A3
SCHEMBL10313968 0.74 KCNH2 (0.43)
SCHEMBL3668795 0.71 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
Pyrimidine SCHEMBL7661215 0.70 CCR5 (0.38) GPR119SLC6A2SLC6A4SLC6A3
SCHEMBL17315790 0.69 TACR1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL17315777 0.69 TACR1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL4142784 0.69 CYP3A4 (0.38) GPR119

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 4 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-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 GPR119 1547/4885SLC6A2 2606/4885SLC6A4 2442/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 GPR119 1597/4885SLC6A2 2827/4885SLC6A4 2394/4885

“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.