SCHEMBL3111136

SCHEMBL3111136

CC(C)(C)c1ccccc1OC1CN(C(=O)c2cccc(CCC(=O)O)c2)C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 11/20 0.64
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MRGPRX4 Q96LA9 2/20 0.41
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3107512 0.89 RBP4 (0.53) RBP4NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL3113192 0.89 RBP4 (0.67) RBP4NPSR1RXRARXRBRXRG
SCHEMBL3094503 0.84 RBP4 (0.69) RBP4HPGD
SCHEMBL3106015 0.82 RBP4 (0.59) RBP4LMNA
SCHEMBL3113965 0.82 RBP4 (0.58) RBP4
SCHEMBL3094577 0.81 RBP4 (0.78) RBP4NPC1SMN1; SMN2POLBHPGD
SCHEMBL3108139 0.78 RBP4 (0.65) RBP4RXRARXRBRXRGHPGD
SCHEMBL3104804 0.78 RBP4 (1.00) RBP4NPSR1RXRARXRBRXRG
SCHEMBL18404037 0.78 RBP4 (0.58) RBP4NPSR1RXRARXRBRXRG
SCHEMBL3104734 0.78 RBP4 (0.53) RBP4SMN1; SMN2

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 1/4885NPC1 1025/4885RAB9A 3939/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885NPC1 1025/4885RAB9A 3939/4885

“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.