SCHEMBL16563206

SCHEMBL16563206

O=C(c1ccc(OC(F)(F)F)cc1)C1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.47
▸ KDM2B Q8NHM5 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ CTSL P07711 3/20 0.46
▸ CTSS P25774 3/20 0.46
▸ KCNQ3 O43525 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ HPGD P15428 6/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CTSK P43235 1/20 0.44
▸ EPHX1 P07099 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP1A2 P05177 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
SCHEMBL6140623 0.77 HSD11B1 (0.66) HSD11B1KDM2BMGLLRAB9ANPC1
SCHEMBL16563887 0.77 HSD11B1 (0.59) HSD11B1KDM2BMGLLCTSLCTSS
SCHEMBL27957268 0.76 HSD11B1 (0.61) HSD11B1KDM2BMGLLRAB9ANPC1
SCHEMBL27351823 0.75 HPGD (0.51) HPGDRAB9ANPC1POLBALDH1A1
SCHEMBL25383808 0.74 EPHX2 (0.41) HSD11B1CTSLCTSSKCNQ3KCNQ2
SCHEMBL31169174 0.74 EPHX2 (0.41) HSD11B1CTSLCTSSKMT2AEPHX1
SCHEMBL27702574 0.72 HSD11B1 (0.48) HSD11B1KDM2BMGLLRAB9ANPC1
SCHEMBL27702346 0.72 HSD11B1 (0.48) HSD11B1KDM2BMGLLPOLBALDH1A1
SCHEMBL9389800 0.72 ALDH1A1 (0.54) HPGDRAB9ANPC1POLBALDH1A1
SCHEMBL20015846 0.72 EPHX2 (0.57) HPGDRAB9ANPC1EPHX2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017508-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-10 — — US disclosed
EP-2848618-B1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-03-14 — — EP disclosed
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-05-11 — — US disclosed
US-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 — — US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 — — US disclosed
EP-2848618-A1 NITROGENATED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-03-18 — — 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 (3 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A HSD11B1 309/4885KDM2B 503/4885MGLL 3666/4885
US-20170129887-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A HSD11B1 309/4885KDM2B 503/4885MGLL 3666/4885
US-10017508-B2 Nitrogenated heterocyclic compound PDE2A, PDE5A, PDE3A HSD11B1 309/4885KDM2B 503/4885MGLL 3666/4885

“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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