SCHEMBL6418776

SCHEMBL6418776

COc1ccc(C(=O)N2CCC(O)c3ccccc32)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
SPTLC2 O15270 4/20 0.55
MCL1 Q07820 1/20 0.52
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
ALDH1A1 P00352 4/20 0.49
SPTLC3 Q9NUV7 1/20 0.48
AVPR2 P30518 4/20 0.47
AVPR1A P37288 4/20 0.47
KDM4E B2RXH2 2/20 0.47
OXTR P30559 1/20 0.47
LMNA P02545 2/20 0.47

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
Hydrochloric Acid SCHEMBL19893016 0.86 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DSPTLC2
SCHEMBL6971216 0.85 SPTLC2 (0.63) PDE4APDE4BPDE4CPDE4DSPTLC2
SCHEMBL6973987 0.85 SPTLC2 (0.71) PDE4APDE4BPDE4CPDE4DSPTLC2
SCHEMBL4128931 0.84 RAB9A (0.61) BCHEACHEALDH1A1AVPR2AVPR1A
SCHEMBL6973267 0.84 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSPTLC2
SCHEMBL4129674 0.83 TSHR (0.61) BCHEACHEALDH1A1
SCHEMBL6979289 0.82 SPTLC2 (0.71) PDE4APDE4BPDE4CPDE4DSPTLC2
SCHEMBL6421109 0.82 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DSPTLC2
SCHEMBL6979035 0.81 SPTLC2 (0.64) PDE4APDE4BPDE4CPDE4DSPTLC2
SCHEMBL6978484 0.81 SPTLC2 (0.66) PDE4APDE4BPDE4CPDE4DSPTLC2

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 9 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
US-6930104-B2 Heterocyclic derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040157850-A1 Novel heterocyclic derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1382598-A1 NOVEL HETEROCYCLIC DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2004-01-21 EP disclosed
US-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-11-20 US disclosed
EP-1283055-A1 SOLUBLE BETA AMYLOID PRECURSOR PROTEIN SECRETION PROMOTERS Takeda Chemical Industries, Ltd. (JP) 2003-02-12 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 (4 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 PDE4A 3440/4885PDE4B 3091/4885PDE4C 3818/4885
US-20180170874-A1 HETEROCYCLIC COMPOUND SPTLC1, SPTLC2, NPC1 PDE4A 3440/4885PDE4B 3091/4885PDE4C 3818/4885
US-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters APP, BDNF, BACE1 PDE4A 2235/4885PDE4B 2563/4885PDE4C 2811/4885
US-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 PDE4A 1805/4885PDE4B 2480/4885PDE4C 2696/4885

“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.