SCHEMBL3103155

SCHEMBL3103155

CC(C)(C)c1ccccc1OCC1CCN(C(=O)C(=O)[N]CCO)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.58
HTR7 P34969 1/20 0.43
DPP4 P27487 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RY1 P47900 3/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL3108249 0.90 RBP4 (0.58) RBP4HTR7DPP4CYP1A2CYP2D6
SCHEMBL3103065 0.86 RBP4 (0.56) RBP4MAPTKDM4E
SCHEMBL3105924 0.85 RBP4 (0.62) RBP4HTR7DPP4CYP1A2CYP2D6
SCHEMBL3105394 0.84 RBP4 (0.70) RBP4HTR7DPP4MEN1GAA
SCHEMBL13299624 0.82 RBP4 (0.64) RBP4HTR7DPP4CYP1A2CYP2D6
SCHEMBL13034496 0.81 RBP4 (0.69) RBP4HTR7DPP4
SCHEMBL3103166 0.81 RBP4 (0.64) RBP4HTR7DPP4GAAP2RY1
SCHEMBL18404066 0.81 RBP4 (0.68) RBP4HTR7DPP4CYP1A2CYP2D6
SCHEMBL3105936 0.79 RBP4 (0.66) RBP4HTR7DPP4
SCHEMBL3103289 0.78 RBP4 (0.64) RBP4KDM4E

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 1/4885HTR7 3879/4885DPP4 104/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885HTR7 3879/4885DPP4 104/4885

“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.