SCHEMBL19834553

SCHEMBL19834553

CCOC(=O)CCc1ccn(-c2ccc(Oc3cccc(OCC4CC4)c3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 13/20 0.45
ACACB O00763 5/20 0.45
F10 P00742 2/20 0.39
P2RX3 P56373 2/20 0.38
CCR8 P51685 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
SCHEMBL19834442 0.87 ACACA (0.44) ACACAACACB
SCHEMBL19834496 0.83 ACACA (0.48) ACACAACACB
SCHEMBL19834576 0.83 ACACA (0.47) ACACAACACB
SCHEMBL19834370 0.82 ACACA (0.46) ACACAACACB
SCHEMBL19834512 0.81 ACACA (0.62) ACACAACACB
SCHEMBL19834568 0.78 ACACA (0.44) ACACAACACB
SCHEMBL19834555 0.75 ACACA (0.47) ACACAACACB
SCHEMBL19834551 0.74 ACACA (0.46) ACACAACACB
SCHEMBL19834562 0.74 ACACA (0.56) ACACAACACB
SCHEMBL19405877 0.73 ACACA (0.57) ACACAACACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10252997-B2 Monocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-04-09 US disclosed
US-20180079723-A1 MONOCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
EP-3279183-A1 MONOCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-07 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-10252997-B2 Monocyclic compound FABP1, CPT1A, GOT2 ACACA 58/4885ACACB 28/4885F10 1568/4885
US-20180079723-A1 MONOCYCLIC COMPOUND FABP1, CPT1A, GOT2 ACACA 58/4885ACACB 28/4885F10 1568/4885

“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.