SCHEMBL17456052

SCHEMBL17456052

O=C(c1ccccc1)N1CCC(Oc2ccccc2-c2ccncc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.51
▸ IKBKB O14920 1/20 0.51
▸ CHUK O15111 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ RBP4 P02753 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ CSF1R P07333 1/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ KIT P10721 1/20 0.47
▸ DDR1 Q08345 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ QPCT Q16769 1/20 0.45
▸ QPCTL Q9NXS2 1/20 0.45
▸ EPHX1 P07099 1/20 0.45

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
SCHEMBL17455927 0.86 RBP4 (0.53) IKBKBCHUKALDH1A1HTTRBP4
SCHEMBL17505978 0.85 IKBKB (0.64) EPHX2IKBKBCHUKRBP4
SCHEMBL17456070 0.80 KDM1A (0.54) IKBKBCHUKRBP4
SCHEMBL17456067 0.80 NAMPT (0.48) ALDH1A1HTTRBP4TSHRMEN1
SCHEMBL17456031 0.78 SMN1; SMN2 (0.49) IKBKBCHUKALDH1A1MEN1KMT2A
SCHEMBL2781381 0.76 MEN1 (0.68) MEN1KMT2AACHEPOLBEPHX1
SCHEMBL14597201 0.76 ACHE (0.61) EPHX2ALDH1A1HTTMEN1KMT2A
SCHEMBL17455938 0.75 SMN1; SMN2 (0.57) MEN1KMT2AACHEGAASMN1; SMN2
SCHEMBL17456036 0.74 CDK9 (0.48) EPHX2IKBKBCHUKALDH1A1RBP4
SCHEMBL21238929 0.74 CCNT1 (0.48) EPHX2IKBKBCHUKALDH1A1MEN1

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 9 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
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 EPHX2 92/4885IKBKB 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.

Send feedback