SCHEMBL3107091

SCHEMBL3107091

CC(C)(C)c1cc(Cl)ccc1OCC1CCN(C(=O)CCC(=O)O)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 8/20 0.64
KDM4E B2RXH2 3/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
USP2 O75604 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 3/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43

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
SCHEMBL3111011 0.94 RBP4 (0.67) RBP4KDM4EGAAMAPK1USP2
SCHEMBL18404323 0.92 RBP4 (0.61) RBP4KDM4EGAAMAPK1ALDH1A1
SCHEMBL3111995 0.91 RBP4 (0.68) RBP4KDM4EGAAMAPK1ALDH1A1
SCHEMBL3111712 0.90 RBP4 (0.59) RBP4KDM4EGAAMAPK1ALDH1A1
SCHEMBL3116386 0.89 RBP4 (0.76) RBP4KDM4EGAAMAPK1USP2
SCHEMBL3111917 0.88 RBP4 (0.73) RBP4MGLLCYP4F2CYP4A11
SCHEMBL3107822 0.87 RBP4 (0.79) RBP4KDM4EGAAMAPK1ALDH1A1
SCHEMBL18404357 0.87 RBP4 (0.58) RBP4KDM4EGAAMAPK1USP2
SCHEMBL3103032 0.85 RBP4 (0.80) RBP4KDM4EGAAMAPK1USP2
SCHEMBL3107892 0.85 RBP4 (0.63) RBP4KDM4EGAAMAPK1ALDH1A1

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 14 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

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 1/4885KDM4E 334/4885GAA 3767/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885KDM4E 334/4885GAA 3767/4885

“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.