SCHEMBL17456060

SCHEMBL17456060

c1ccc(-c2ccncc2)c(OC2CCNCC2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 3/20 0.77
▸ IKBKB O14920 5/20 0.59
▸ CHUK O15111 5/20 0.59
▸ ROCK1 Q13464 4/20 0.59
▸ LCK P06239 2/20 0.59
▸ SLC6A2 P23975 2/20 0.50
▸ HTR1A P08908 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ NMT1 P30419 1/20 0.49
▸ ALOX5AP P20292 1/20 0.48
▸ FEN1 P39748 1/20 0.48
▸ PIM1 P11309 1/20 0.47
▸ ADRA2A P08913 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ ADRA2C P18825 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ CDC42BPB Q9Y5S2 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ KCNH2 Q12809 1/20 0.44

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
Hydrochloric Acid SCHEMBL17455937 0.98 HRH1 (0.74) HRH1IKBKBCHUKROCK1LCK
SCHEMBL17455925 0.81 HRH1 (0.50) HRH1IKBKBCHUKROCK1LCK
SCHEMBL17456031 0.79 SMN1; SMN2 (0.49) HRH1IKBKBCHUK
SCHEMBL20321446 0.79 HRH1 (0.62) HRH1IKBKBCHUKROCK1LCK
SCHEMBL17455950 0.76 CHRM3 (0.49) HRH1IKBKBCHUKNMT1ADRA2A
SCHEMBL17456016 0.75 HRH1 (0.43) HRH1IKBKBCHUKROCK1LCK
SCHEMBL17455976 0.75 CTNNB1 (0.50) IKBKBCHUKROCK1LCKSLC6A2
SCHEMBL12192788 0.74 IKBKB (1.00) HRH1IKBKBCHUKROCK1LCK
SCHEMBL187501 0.74 HRH1 (0.66) HRH1IKBKBCHUKROCK1LCK
SCHEMBL30791461 0.74 HRH1 (0.65) HRH1SLC6A2HTR1AALOX5APFEN1

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 4 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
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 HRH1 629/4885IKBKB 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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