SCHEMBL19893277

SCHEMBL19893277

COC(=O)CCNc1cnn(C)c1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.47
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ FLT1 P17948 9/20 0.38
▸ KDR P35968 8/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ TMPRSS15 P98073 1/20 0.34

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
SCHEMBL22749223 0.84 CNR2 (0.48) CNR2CYP1A2CYP2C19FLT1KDR
SCHEMBL22749207 0.83 CNR2 (0.47) CNR2CYP1A2CYP2C19FLT1KDR
SCHEMBL19893070 0.79 KDM4E (0.33) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL30926216 0.75 ALDH1A1 (0.37) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL30908549 0.74 CNR2 (0.59) CNR2CYP1A2CYP2C19FLT1KDR
SCHEMBL1881753 0.74 CNR2 (0.55) CNR2CYP1A2CYP2C19FLT1KDR
SCHEMBL27409311 0.72 CNR2 (0.56) CNR2CYP1A2CYP2C19FLT1KDR
SCHEMBL19893122 0.71 CNR2 (0.47) CNR2KDM4EALDH1A1GAAMAPT
SCHEMBL31719625 0.70 CNR2 (0.47) CNR2CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL2215634 0.70 CNR2 (0.47) CNR2CYP1A2CYP2C19KDM4EALDH1A1

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 CNR2 1791/4885CYP1A2 3194/4885CYP2C19 4309/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 CNR2 1791/4885CYP1A2 3194/4885CYP2C19 4309/4885

“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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