SCHEMBL17455984

SCHEMBL17455984

O=C(C1CC1)N1CCC(Oc2ccccc2-c2ccncn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.45
▸ IKBKB O14920 2/20 0.43
▸ CHUK O15111 1/20 0.43
▸ RBP4 P02753 1/20 0.41
▸ SCD O00767 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP46A1 Q9Y6A2 1/20 0.39

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
SCHEMBL17456013 0.84 NAMPT (0.47) NAMPTRBP4SCDCYP46A1
SCHEMBL17456065 0.78 HPGD (0.49) NAMPTKMT2AMAPT
SCHEMBL17455946 0.78 CDK9 (0.47) KMT2ACYP46A1
SCHEMBL17456063 0.78 TMEM97 (0.48) NAMPTSCD
SCHEMBL17455963 0.76 SMN1; SMN2 (0.52) KMT2A
SCHEMBL17456038 0.75 SCN9A (0.50) IKBKBCHUKCYP46A1
SCHEMBL17456064 0.75 RBP4 (0.47) NAMPTIKBKBCHUKRBP4SCD
SCHEMBL17456012 0.75 IKBKB (0.38) NAMPTIKBKBCHUK
SCHEMBL17455939 0.74 IKBKB (0.48) NAMPTIKBKBCHUK
SCHEMBL17455961 0.73 SCN9A (0.50) —

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 NAMPT 367/4885IKBKB 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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