SCHEMBL17455940

SCHEMBL17455940

O=C(CC1CC1)N1CCC(Oc2cccnc2-c2ccncc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.46
▸ RBP4 P02753 1/20 0.45
▸ SCD O00767 8/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL17456064 0.83 RBP4 (0.47) NAMPTRBP4SCD
SCHEMBL17455922 0.83 ALDH1A1 (0.43) RBP4SCDKDM4EALDH1A1
SCHEMBL17456003 0.83 RBP4 (0.41) RBP4SCDKDM4EALDH1A1
SCHEMBL17455927 0.81 RBP4 (0.53) RBP4ALDH1A1
SCHEMBL17455982 0.81 HPGD (0.51) NAMPTRBP4ALDH1A1HSD17B10
SCHEMBL17456018 0.81 CYP11B1 (0.42) RBP4
SCHEMBL17455956 0.81 TMEM97 (0.51) NAMPTRBP4ALDH1A1
SCHEMBL17456006 0.79 NAMPT (0.46) NAMPTRBP4
SCHEMBL21238936 0.78 RBP4 (0.40) RBP4SCDKDM4EALDH1A1
SCHEMBL17456067 0.77 NAMPT (0.48) NAMPTRBP4ALDH1A1

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 5 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
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

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 367/4885RBP4 4341/4885SCD 1636/4885

“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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