SCHEMBL19892803

SCHEMBL19892803

COc1cc(C(=O)N2CC[C@H](NC(=O)c3ccccc3OC(F)(F)F)c3c2cnn3C)cnc1OC

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 7/20 0.83
SPTLC3 Q9NUV7 3/20 0.83
PTK2 Q05397 5/20 0.40
KDM5A P29375 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL19893152 1.00 SPTLC2 (0.83) SPTLC2SPTLC3PTK2KDM5AKCNK3
SCHEMBL19893231 1.00 SPTLC2 (0.83) SPTLC2SPTLC3PTK2KDM5AKCNK3
SCHEMBL19893654 0.91 SPTLC2 (0.79) SPTLC2SPTLC3PTK2KDM5AKCNK3
SCHEMBL19893533 0.91 SPTLC2 (0.77) SPTLC2SPTLC3KDM5AKCNK3KCNK9
SCHEMBL19893488 0.91 SPTLC2 (0.80) SPTLC2SPTLC3PTK2KDM5AKCNK3
SCHEMBL19892760 0.91 SPTLC2 (1.00) SPTLC2SPTLC3PTK2KDM5AKCNK3
SCHEMBL19893714 0.91 SPTLC2 (0.80) SPTLC2SPTLC3PTK2KDM5AKCNK3
SCHEMBL19893417 0.91 SPTLC2 (0.80) SPTLC2SPTLC3PTK2KDM5AKCNK3
SCHEMBL19893288 0.91 SPTLC2 (1.00) SPTLC2SPTLC3PTK2KDM5AKCNK3
SCHEMBL19893173 0.91 SPTLC2 (1.00) SPTLC2SPTLC3PTK2KDM5AKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287441-B1 ACYLATED 4-AMINOPIPERIDINES AS INHIBITORS OF SERINE PALMITOYLTRANSFERASE TAKEDA PHARMACEUTICALS CO (JP) 2021-06-09 EP disclosed
US-10189785-B2 Heterocyclic compound TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2019-01-29 US disclosed
US-10189785-B2 Heterocyclic compound TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2019-01-29 US disclosed
US-20180170874-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-21 US disclosed
US-20180170874-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-21 US disclosed
US-20180170874-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-21 US disclosed
EP-3287441-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-02-28 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-10189785-B2 Heterocyclic compound SPTLC1, SPTLC2, NPC1 SPTLC2 2/4885SPTLC3 4/4885PTK2 4690/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 SPTLC2 2/4885SPTLC3 4/4885PTK2 4690/4885

“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.