SCHEMBL10233082

SCHEMBL10233082

[C-]#[N+]c1ccc(C2=CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.35
▸ PIK3CD O00329 4/20 0.35
▸ PIK3CA P42336 4/20 0.35
▸ MAPK14 Q16539 7/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ CSNK1D P48730 3/20 0.34
▸ CSNK1E P49674 3/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ PIK3CB P42338 2/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ FABP7 O15540 1/20 0.32

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
SCHEMBL26560458 0.82 HTR1D (0.43) HTR1DAAK1PIK3CDPIK3CAMAPK14
SCHEMBL27962016 0.75 HTR1D (0.40) HTR1DAAK1PIK3CDPIK3CAMAPK14
SCHEMBL4772120 0.75 HTR2C (0.46) HTR1DAAK1PIK3CDPIK3CAMAPK14
SCHEMBL14320398 0.75 BACE1 (0.42) HTR1DAAK1PIK3CDPIK3CAMAPK14
SCHEMBL7143060 0.75 MAPK14 (0.52) HTR1DPIK3CDPIK3CAMAPK14BACE1
SCHEMBL24196019 0.75 HTR1D (0.40) HTR1DAAK1PIK3CDPIK3CAMAPK14
SCHEMBL14183094 0.75 MAPK14 (0.48) HTR1DAAK1PIK3CDPIK3CAMAPK14
SCHEMBL18857842 0.74 MAPK14 (0.47) HTR1DPIK3CDPIK3CAMAPK14CSNK1D
SCHEMBL10232835 0.73 AAK1 (0.38) AAK1PIK3CDPIK3CAPDE3BPDE3A
SCHEMBL20448631 0.71 PIK3CD (0.37) HTR1DAAK1PIK3CDPIK3CAMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 — — US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 — — 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 HTR1D 1154/4885AAK1 2982/4885PIK3CD 4431/4885

“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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