SCHEMBL16563264

SCHEMBL16563264

NC(c1ccc(OC(F)(F)F)cc1)C1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PRKDC P78527 1/20 0.37
PDE2A O00408 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CTSS P25774 1/20 0.35
HSD11B1 P28845 1/20 0.35
ABL1 P00519 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KDM1A O60341 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
DPP4 P27487 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL16563872 0.89 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3PDE2AALDH1A1
Hydrochloric Acid SCHEMBL16634012 0.87 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3PDE2AALDH1A1
SCHEMBL16563914 0.84 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3PRKDCPDE2A
SCHEMBL16563814 0.78 CTSS (0.40) SLC6A4CTSSABL1KCNH2
SCHEMBL12789414 0.73 IDO1 (0.41) DPP4
SCHEMBL18291931 0.72 PDE2A (0.41) EPHX2SLC6A4SLC6A3PDE2AHRH3
SCHEMBL12473628 0.72 KCNH2 (0.44) EPHX2PRKDCHRH3ABL1KDM1A
SCHEMBL16861435 0.72 PDE2A (0.44) EPHX2SLC6A4SLC6A2SLC6A3PDE2A
SCHEMBL28577438 0.71 CTSS (0.43) CTSSKCNH2
SCHEMBL24017149 0.70 PDE2A (0.49) EPHX2SLC6A4SLC6A2SLC6A3PDE2A

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-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 US disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 US disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 EP 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 (3 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A EPHX2 1190/4885SLC6A4 338/4885SLC6A2 38/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A EPHX2 1190/4885SLC6A4 338/4885SLC6A2 38/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A EPHX2 1190/4885SLC6A4 338/4885SLC6A2 38/4885

“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.