SCHEMBL19205344

SCHEMBL19205344

O=C(O)CC(=O)N1CC[C@H](COc2ccccc2C2CCCCC2)C1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.67
PTGDR2 Q9Y5Y4 2/20 0.57
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CHRM4 P08173 2/20 0.43
TACR3 P29371 1/20 0.42
CHRM1 P11229 1/20 0.42
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRMT5 O14744 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
SCHEMBL19205458 1.00 RBP4 (0.67) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19205411 0.99 RBP4 (0.68) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19205322 0.99 RBP4 (0.68) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19205398 0.99 RBP4 (0.68) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19205381 0.97 RBP4 (0.68) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19205420 0.97 RBP4 (0.68) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19205310 0.91 RBP4 (0.60) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19205395 0.90 RBP4 (0.59) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19205350 0.90 RBP4 (0.59) RBP4PTGDR2MEN1KMT2ACHRM4
SCHEMBL19291074 0.88 RBP4 (0.58) RBP4PTGDR2MEN1KMT2ACHRM4

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-3210971-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-16 EP claimed
US-9944596-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 US claimed
EP-3210971-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP claimed
US-20170233339-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-17 US claimed
EP-3210971-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-16 EP disclosed
EP-3210971-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-16 EP disclosed
US-9944596-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 US disclosed
US-9944596-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 US disclosed
US-9944596-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-17 US disclosed
EP-3210971-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
EP-3210971-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
US-20170233339-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-17 US disclosed
US-20170233339-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-17 US disclosed
US-20170233339-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-17 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 (1 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-20170233339-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RARA RBP4 1/4885PTGDR2 3817/4885MEN1 1794/4885

“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.