SCHEMBL19893453

SCHEMBL19893453

COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3CC(C)C)cc1OC

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 13/20 0.80
SPTLC3 Q9NUV7 3/20 0.80
SMN1; SMN2 Q16637 1/20 0.41
PDE4D Q08499 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL19893526 0.94 SPTLC2 (0.78) SPTLC2SPTLC3PDE4DPDE4APDE4B
SCHEMBL19893123 0.92 SPTLC2 (0.82) SPTLC2SPTLC3PDE4DPDE4APDE4B
SCHEMBL19893418 0.92 SPTLC2 (0.84) SPTLC2SPTLC3PDE4DPDE4APDE4B
SCHEMBL19893101 0.91 SPTLC2 (0.82) SPTLC2SPTLC3PDE4DPDE4APDE4B
SCHEMBL19893328 0.90 SPTLC2 (0.81) SPTLC2SPTLC3PDE4DPDE4APDE4B
SCHEMBL19893662 0.89 SPTLC2 (0.78) SPTLC2SPTLC3PDE4DPDE4APDE4B
SCHEMBL19892934 0.89 SPTLC2 (1.00) SPTLC2SPTLC3SMN1; SMN2PDE4DPDE4A
SCHEMBL19893393 0.89 SPTLC2 (1.00) SPTLC2SPTLC3SMN1; SMN2PDE4DPDE4A
SCHEMBL19893001 0.89 SPTLC2 (1.00) SPTLC2SPTLC3SMN1; SMN2PDE4DPDE4A
SCHEMBL19893410 0.89 SPTLC2 (1.00) SPTLC2SPTLC3PDE4DPDE4APDE4B

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 4/4885SMN1; SMN2 176/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 SPTLC2 2/4885SPTLC3 4/4885SMN1; SMN2 176/4885

“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.