SCHEMBL19893382

SCHEMBL19893382

COc1cc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C)ccc1Cl

nearest known ligand 0.92

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 13/20 0.92
SPTLC3 Q9NUV7 3/20 0.76
DRD4 P21917 1/20 0.42
PYGL P06737 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
F10 P00742 1/20 0.39
AVPR2 P30518 1/20 0.39
AVPR1A P37288 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
SCHEMBL19893410 0.96 SPTLC2 (1.00) SPTLC2SPTLC3DRD4PDE4APDE4B
SCHEMBL19893349 0.93 SPTLC2 (0.92) SPTLC2SPTLC3PDE4APDE4BPDE4C
SCHEMBL19892851 0.91 SPTLC2 (0.81) SPTLC2SPTLC3
SCHEMBL19892793 0.90 SPTLC2 (0.82) SPTLC2SPTLC3
SCHEMBL19893616 0.89 SPTLC2 (0.88) SPTLC2SPTLC3PDE4APDE4BPDE4C
SCHEMBL19893619 0.89 SPTLC2 (0.81) SPTLC2SPTLC3
SCHEMBL19893590 0.88 SPTLC2 (0.83) SPTLC2SPTLC3PDE4APDE4BPDE4C
SCHEMBL19893370 0.88 SPTLC2 (0.80) SPTLC2SPTLC3
SCHEMBL19893106 0.88 SPTLC2 (0.85) SPTLC2SPTLC3PDE4APDE4BPDE4C
SCHEMBL19893216 0.87 SPTLC2 (0.79) SPTLC2SPTLC3

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 4/4885DRD4 4680/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 SPTLC2 2/4885SPTLC3 4/4885DRD4 4680/4885

“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.