SCHEMBL19893370

SCHEMBL19893370

COc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)c3c2cnn3C)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 11/20 0.80
SPTLC3 Q9NUV7 2/20 0.66
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.40
FFAR2 O15552 1/20 0.39
MCHR1 Q99705 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL19893031 0.94 SPTLC2 (0.71) SPTLC2SPTLC3TSHRHSD17B10FFAR2
SCHEMBL19893619 0.92 SPTLC2 (0.81) SPTLC2SPTLC3TSHRKMT2A
SCHEMBL19893410 0.89 SPTLC2 (1.00) SPTLC2SPTLC3
SCHEMBL19893194 0.88 SPTLC2 (0.77) SPTLC2SPTLC3MEN1KMT2A
SCHEMBL19893349 0.88 SPTLC2 (0.92) SPTLC2SPTLC3MEN1KMT2ATAS1R3
SCHEMBL19893382 0.88 SPTLC2 (0.92) SPTLC2SPTLC3
SCHEMBL19893092 0.88 SPTLC2 (0.74) SPTLC2SPTLC3MEN1KMT2A
SCHEMBL19893316 0.87 SPTLC2 (0.77) SPTLC2SPTLC3MEN1KMT2A
SCHEMBL19893065 0.87 SPTLC2 (0.73) SPTLC2SPTLC3MEN1KMT2A
SCHEMBL19892851 0.87 SPTLC2 (0.81) SPTLC2SPTLC3MEN1KMT2A

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 4/4885TSHR 4664/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 SPTLC2 2/4885SPTLC3 4/4885TSHR 4664/4885

“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.