SCHEMBL17455917

SCHEMBL17455917

CN(C)S(=O)(=O)N1CCC(Oc2cccnc2-c2ccncc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.47
▸ IKBKB O14920 2/20 0.37
▸ CHUK O15111 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ RBP4 P02753 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL17456033 0.87 IKBKB (0.47) IKBKBCHUKRBP4ALDH1A1CYP11B1
SCHEMBL17455933 0.86 CYP11B1 (0.38) IKBKBCHUKRBP4CYP11B1CYP11B2
SCHEMBL17455936 0.85 CACNB4 (0.39) IKBKBCHUKRBP4ALDH1A1CYP11B1
SCHEMBL17456034 0.83 CACNB4 (0.38) CYP1A2IKBKBCHUKRBP4CYP11B1
SCHEMBL17455979 0.83 MCHR1 (0.43) CYP1A2IKBKBCHUKALDH1A1CYP11B1
SCHEMBL17455952 0.81 KDM4E (0.47) ALDH1A1LMNAMAPTMCHR1
SCHEMBL17455913 0.81 LMNA (0.39) IKBKBCHUKALDH1A1CYP11B1CYP11B2
SCHEMBL17456044 0.81 MCHR1 (0.44) KMT2ALMNAMAPTMCHR1RAB9A
SCHEMBL17456004 0.81 SMN1; SMN2 (0.52) ALDH1A1MAPTMCHR1RAB9A
SCHEMBL21238938 0.81 CYP11B1 (0.42) RBP4CYP11B1CYP11B2

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 CYP1A2 30/4885IKBKB 2723/4885CHUK 1104/4885

“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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