SCHEMBL3103185

SCHEMBL3103185

CC(C)(C)c1cc(Br)ccc1OC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 7/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
SLC6A4 P31645 3/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL3103881 0.86 RBP4 (0.44) RBP4SCN9A
SCHEMBL3099097 0.85 RBP4 (0.55) RBP4SLC6A4SCN9A
SCHEMBL3106903 0.85 RBP4 (0.55) RBP4SLC6A4SCN9A
SCHEMBL3108232 0.84 RBP4 (0.57) RBP4SCN9A
SCHEMBL13717690 0.81 SCN9A (0.46) SLC6A4SCN9A
SCHEMBL3105526 0.77 RBP4 (0.49) RBP4SCN9A
SCHEMBL3105836 0.76 RBP4 (0.55) RBP4PTGDR2SLC6A4
SCHEMBL5781290 0.76 SYK (0.53) RBP4SLC6A4SCN9A
SCHEMBL5368922 0.74 SCN9A (0.41) SLC6A4SCN9A
SCHEMBL9596982 0.74 OPRM1 (0.44) SLC6A4SCN9A

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 1/4885PTGDR2 3803/4885SLC6A4 2310/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885PTGDR2 3803/4885SLC6A4 2310/4885

“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.