SCHEMBL19893301

SCHEMBL19893301

COC(=O)CCNc1c(C(=O)OC)noc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TOP2A P11388 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 3/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA14 Q9ULX7 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ POLB P06746 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GPX4 P36969 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL22609276 0.71 ALDH1A1 (0.53) SMN1; SMN2KMT2AALDH1A1TSHRMAPT
SCHEMBL25985564 0.70 NPSR1 (0.48) KMT2ANPSR1ALDH1A1MAPTMEN1
SCHEMBL9585593 0.69 ALDH1A1 (0.50) KMT2ANPSR1ALDH1A1TSHRMEN1
SCHEMBL25465485 0.68 KMT2A (0.42) SMN1; SMN2KMT2ANPSR1ALDH1A1TSHR
SCHEMBL31226160 0.67 NPSR1 (0.45) SMN1; SMN2KMT2ANPSR1ALDH1A1MAPT
SCHEMBL22609347 0.67 NPSR1 (0.45) KMT2ANPSR1ALDH1A1MAPTMEN1
SCHEMBL19893057 0.67 NPSR1 (0.45) KMT2ANPSR1ALDH1A1TSHRMAPT
SCHEMBL5431807 0.67 NPSR1 (0.45) KMT2ANPSR1ALDH1A1MAPTMEN1
SCHEMBL31226129 0.67 ALDH1A1 (0.45) KMT2ANPSR1ALDH1A1MAPTMEN1
SCHEMBL14677476 0.67 ALDH1A1 (0.42) SMN1; SMN2KMT2ANPSR1ALDH1A1TSHR

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 4 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-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 SMN1; SMN2 176/4885KMT2A 1530/4885NPSR1 3812/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 SMN1; SMN2 176/4885KMT2A 1530/4885NPSR1 3812/4885

“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.

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