SCHEMBL3103065

SCHEMBL3103065

CC(C)(C)c1ccccc1OC1CCN(C(=O)C(=O)[N]CCO)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.56
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCD O00767 6/20 0.40
HRH1 P35367 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL3103155 0.86 RBP4 (0.58) RBP4KDM4EMAPT
SCHEMBL3096195 0.82 RBP4 (0.67) RBP4EPHX2KDM4ELMNAMAPT
SCHEMBL3111065 0.80 RBP4 (0.56) RBP4EPHX2KDM4ELMNAMAPT
SCHEMBL3103076 0.80 RBP4 (0.56) RBP4EPHX2KDM4ESCD
SCHEMBL3108136 0.80 RBP4 (0.64) RBP4EPHX2KDM4ELMNAMAPT
SCHEMBL17955461 0.80 RBP4 (0.67) RBP4EPHX2KDM4ELMNAMAPT
SCHEMBL13034439 0.79 RBP4 (0.63) RBP4EPHX2KDM4ELMNAMAPT
SCHEMBL3111770 0.78 RBP4 (0.65) RBP4EPHX2KDM4ELMNAMAPT
SCHEMBL18404642 0.78 RBP4 (0.61) RBP4EPHX2KDM4ELMNAMAPT
SCHEMBL3111904 0.77 RBP4 (0.55) RBP4EPHX2KDM4ELMNAMAPT

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
EP-2202223-B1 HETEROCYCLIC COMPOUND AS BLOOD RBP4 LOWERING AGENT TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed
US-9487509-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
US-20140066420-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-8586571-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
US-20100292206-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 US disclosed
EP-2202223-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-30 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 (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-20140066420-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885EPHX2 2128/4885KDM4E 334/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885EPHX2 2128/4885KDM4E 334/4885

“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.