SCHEMBL17456025

SCHEMBL17456025

O=C(CN1CCC(Oc2nccnc2-c2ccncc2)CC1)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 2/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ LRRK2 Q5S007 3/20 0.47
▸ NAMPT P43490 1/20 0.43
▸ PTGS2 P35354 2/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ TLR8 Q9NR97 1/20 0.42
▸ TLR7 Q9NYK1 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SMO Q99835 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL17455956 0.87 TMEM97 (0.51) TMEM97SIGMAR1LRRK2NAMPTPTGS2
SCHEMBL17456003 0.77 RBP4 (0.41) TMEM97SIGMAR1ALDH1A1SMN1; SMN2GAA
SCHEMBL17455922 0.77 ALDH1A1 (0.43) TMEM97SIGMAR1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL17456063 0.73 TMEM97 (0.48) TMEM97SIGMAR1NAMPTSMN1; SMN2GAA
SCHEMBL17455992 0.72 GPR119 (0.53) —
SCHEMBL17455949 0.71 SCN9A (0.52) ALDH1A1
SCHEMBL17456022 0.71 MKNK1 (0.52) TMEM97SIGMAR1NAMPT
SCHEMBL27086531 0.69 TMEM97 (1.00) TMEM97SIGMAR1
SCHEMBL29997557 0.69 TMEM97 (1.00) TMEM97SIGMAR1
SCHEMBL12521944 0.69 TSHR (0.59) TMEM97SIGMAR1NAMPTALDH1A1SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-2982666-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
US-9598398-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-21 — — US disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
EP-2982666-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-02-10 — — EP disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US disclosed
US-20160024049-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-28 — — US 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 (1 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-20160024049-A1 HETEROCYCLIC COMPOUND PSEN1, PSEN2, BACE1 TMEM97 4048/4885SIGMAR1 3212/4885LRRK2 2294/4885

“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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