SCHEMBL3108450

SCHEMBL3108450

COC(=O)CCC(=O)N1CCC(CCOc2ccccc2C(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.59
HTR7 P34969 3/20 0.48
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTR1A P08908 1/20 0.42
TEAD1 P28347 1/20 0.42
TEAD3 Q99594 1/20 0.42

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
SCHEMBL3107950 0.90 RBP4 (0.69) RBP4HTR7BCHEACHENPC1
SCHEMBL3105816 0.89 RBP4 (0.61) RBP4HTR7ALDH1A1KDM4EGAA
SCHEMBL3103348 0.87 RBP4 (0.77) RBP4HTR7ALDH1A1
SCHEMBL3094412 0.84 RBP4 (0.61) RBP4BCHEACHE
SCHEMBL13034514 0.84 RBP4 (0.59) RBP4HTR7ALDH1A1KDM4EGAA
SCHEMBL3094531 0.82 RBP4 (0.59) RBP4HTR7ALDH1A1KDM4EGAA
SCHEMBL3112227 0.81 RBP4 (0.65) RBP4HTR7ALDH1A1KDM4EGAA
SCHEMBL3111125 0.80 RBP4 (0.54) RBP4HTR7ALDH1A1KDM4ECYP1A2
SCHEMBL3107784 0.79 RBP4 (0.71) RBP4HTR7ALDH1A1KDM4E
SCHEMBL3103332 0.78 RBP4 (0.71) RBP4

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 15 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
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-9487509-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US 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-20140066420-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 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-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
US-20100292206-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 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
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 3879/4885BCHE 2622/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885HTR7 3879/4885BCHE 2622/4885

“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.