SCHEMBL17456016

SCHEMBL17456016

c1ccc(-c2ccncc2)c(OC2CCN(CC3CC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ IKBKB O14920 3/20 0.43
▸ CHUK O15111 3/20 0.43
▸ HTR7 P34969 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ LCK P06239 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ NAMPT P43490 1/20 0.38

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
SCHEMBL17455950 0.85 CHRM3 (0.49) HRH1LMNAIKBKBCHUKEPHX2
SCHEMBL17456018 0.84 CYP11B1 (0.42) HRH1LMNAKCNH2OPRK1
SCHEMBL17455938 0.83 SMN1; SMN2 (0.57) HRH1KCNH2ROCK1SMN1; SMN2SIGMAR1
SCHEMBL17455967 0.82 SCN9A (0.51) LMNASMN1; SMN2DRD2SIGMAR1
SCHEMBL17456031 0.81 SMN1; SMN2 (0.49) HRH1LMNAIKBKBCHUKSMN1; SMN2
SCHEMBL17455983 0.80 ALDH1A1 (0.50) LMNAKCNH2SMN1; SMN2SIGMAR1
SCHEMBL17456036 0.77 CDK9 (0.48) IKBKBCHUKEPHX2SMN1; SMN2
SCHEMBL21238929 0.77 CCNT1 (0.48) IKBKBCHUKEPHX2
SCHEMBL17455948 0.77 SCN9A (0.52) HRH1LMNAIKBKBCHUKSMN1; SMN2
SCHEMBL17456056 0.77 SCN9A (0.49) HRH1IKBKBCHUKSMN1; SMN2SIGMAR1

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 HRH1 629/4885LMNA 1584/4885KCNH2 706/4885

“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