SCHEMBL21138657

SCHEMBL21138657

Cn1ccc(NCC2CCOC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK1 P51617 3/20 0.42
▸ TRPC5 Q9UL62 1/20 0.39
▸ PIM1 P11309 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GCK P35557 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PIK3C2B O00750 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ PIP4K2C Q8TBX8 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL30587040 0.72 IRAK1 (0.50) IRAK1TRPC5ALDH1A1HTTSMN1; SMN2
SCHEMBL22573000 0.71 FYN (0.44) IRAK1PIM1
SCHEMBL21163853 0.68 MAPT (0.42) TRPC5KDM4EALDH1A1EGLN2PIK3C2B
SCHEMBL12176285 0.68 MAPT (0.42) TRPC5KDM4EALDH1A1EGLN2PIK3C2B
SCHEMBL17115796 0.67 — —
SCHEMBL22026611 0.67 CCNT1 (0.37) IRAK1TRPC5CCNT1KCNH3
SCHEMBL25731567 0.66 DDB1 (0.41) IRAK1SMN1; SMN2IRAK4LRRK2
SCHEMBL19923108 0.66 CCNT1 (0.43) IRAK1TRPC5PIM1PIM2MAOB
SCHEMBL17852320 0.66 TRPC5 (0.48) TRPC5KDM4EALDH1A1SMN1; SMN2EGLN2
SCHEMBL28916334 0.65 HRH4 (0.36) IRAK1TRPC5PIM1EGLN2PIK3C2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-17 — — US disclosed
US-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-17 — — US disclosed
WO-2019115404-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-06-20 — — WO 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-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS DDT, ACHE, MNS1 IRAK1 4745/4885TRPC5 399/4885PIM1 4212/4885

“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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