SCHEMBL13034573

SCHEMBL13034573

COC(=O)C(=O)N1CCCC1COc1ccccc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.53
DPP4 P27487 2/20 0.51
FFAR1 O14842 1/20 0.48
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
FKBP1A P62942 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR7 P34969 1/20 0.41

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
SCHEMBL3098982 0.90 FFAR1 (0.53) RBP4DPP4FFAR1CHRNB4CHRNA3
SCHEMBL3113607 0.85 DPP4 (0.52) RBP4DPP4FFAR1CHRNB4CHRNA3
SCHEMBL3106079 0.84 RBP4 (0.64) RBP4DPP4FFAR1GAAMEN1
SCHEMBL3114289 0.81 RBP4 (0.54) RBP4DPP4FFAR1CHRNB4CHRNA3
SCHEMBL3110995 0.81 RBP4 (0.49) RBP4DPP4FFAR1CHRNB4CHRNA3
SCHEMBL18404641 0.80 DPP4 (0.46) RBP4DPP4FFAR1CHRNB4CHRNA3
SCHEMBL18404235 0.80 DPP4 (0.48) RBP4DPP4FFAR1CHRNB4CHRNA3
SCHEMBL13034496 0.80 RBP4 (0.69) RBP4DPP4HTR7
SCHEMBL13034528 0.79 RBP4 (0.74) RBP4HTR7
SCHEMBL18404334 0.79 DPP4 (0.47) RBP4DPP4FFAR1CHRNB4CHRNA3

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 8 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-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-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

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 1/4885DPP4 104/4885FFAR1 2333/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885DPP4 104/4885FFAR1 2333/4885

“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.