SCHEMBL3103045

SCHEMBL3103045

CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C(C)(C)C)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.63
KDM1A O60341 1/20 0.56
GPR119 Q8TDV5 8/20 0.53
PDE4B Q07343 3/20 0.52
PDE4A P27815 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
CACNB4 O00305 1/20 0.48
CACNA1A O00555 1/20 0.48
CACNA1G O43497 1/20 0.48
CACNG3 O60359 1/20 0.48
CACNA1F O60840 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNB3 P54284 1/20 0.48
CACNA2D1 P54289 1/20 0.48
CACNG7 P62955 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNA1D Q01668 1/20 0.48
CACNB1 Q02641 1/20 0.48
CACNG1 Q06432 1/20 0.48

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
SCHEMBL3111017 0.93 RBP4 (0.57) RBP4KDM1AGPR119PDE4BPDE4A
SCHEMBL71246 0.90 EPHX2 (0.56) RBP4KDM1AGPR119KDM4E
SCHEMBL3100314 0.86 GPR119 (0.52) RBP4KDM1AGPR119PDE4BPDE4A
SCHEMBL8095094 0.86 GPR119 (0.53) RBP4KDM1AGPR119PDE4BPDE4A
SCHEMBL19839235 0.86 PDE4B (0.64) KDM1AGPR119PDE4BPDE4APDE4C
SCHEMBL21765007 0.86 KDM1A (0.57) KDM1AGPR119PDE4BPDE4APDE4C
SCHEMBL74564 0.86 KDM1A (0.57) KDM1AGPR119PDE4BPDE4APDE4C
SCHEMBL3094603 0.85 GPR119 (0.58) RBP4KDM1AGPR119PDE4BPDE4A
SCHEMBL17955461 0.85 RBP4 (0.67) RBP4CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL3096195 0.85 RBP4 (0.67) 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 13 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
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 1/4885KDM1A 868/4885GPR119 743/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885KDM1A 868/4885GPR119 743/4885

“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.