SCHEMBL20550900

SCHEMBL20550900

CCN(CC)CCOc1ccc(C=O)nc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.53
▸ CYP1A2 P05177 1/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 1/20 0.49
▸ CHRNA7 P36544 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ EBP Q15125 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ MAOB P27338 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
SCHEMBL31434287 1.00 MCHR1 (0.53) MCHR1CYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL30786081 0.85 MCHR1 (0.53) MCHR1CYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL19816984 0.84 CHRNB2 (0.45) LTA4H
SCHEMBL3386711 0.84 CHRNB2 (0.51) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL7373164 0.82 CA12 (0.42) LTA4HCYP2C9HTTMAPTKMT2A
SCHEMBL8522859 0.82 MAPT (0.44) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL870305 0.79 CYP1A2 (0.61) MCHR1CYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL252784 0.79 GAA (0.39) MAPT
SCHEMBL934205 0.79 NQO1 (0.48) LTA4HKMT2A
SCHEMBL20489792 0.78 NCF1 (0.42) CYP1A2CYP2D6CYP2C19MAPT

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
US-20240109860-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2024-04-04 — — US disclosed
US-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 — — US disclosed
US-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 — — US disclosed
US-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 — — US disclosed
EP-3619196-B1 2-{[2-(PHENYLOXYMETHYL)PYRIDIN-5-YL]OXY}-ETHANAMIN-DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES E.G. FOR CROP PROTECTION BAYER CROPSCIENCE AG (DE) 2022-03-30 — — EP disclosed
EP-3619196-B1 2-{[2-(PHENYLOXYMETHYL)PYRIDIN-5-YL]OXY}-ETHANAMIN-DERIVATIVES AND RELATED COMPOUNDS AS PESTICIDES E.G. FOR CROP PROTECTION BAYER CROPSCIENCE AG (DE) 2022-03-30 — — EP disclosed
EP-3619196-A1 2-{[2-(PHENYLOXYMETHYL)PYRIDIN-5-YL]OXY}-ETHANAMIN-DERIVATIVES AND RELATED COMPOUNDS AS PEST-CONTROL AGENTS E.G. FOR THE PROTECTION OF PLANTS Bayer CropScience Aktiengesellschaft (DE) 2020-03-11 — — EP disclosed
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DISCOVERY PURCHASER CORPORATION 2020-02-27 — — US disclosed
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DISCOVERY PURCHASER CORPORATION 2020-02-27 — — US disclosed
WO-2018202524-A1 2-{[2-(PHENYLOXYMETHYL)PYRIDIN-5-YL]OXY}-ETHANAMIN-DERIVATIVES AND RELATED COMPOUNDS AS PEST-CONTROL AGENTS E.G. FOR THE PROTECTION OF PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-11-08 — — 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 (3 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-11827616-B2 Heterocyclic compounds as pesticides DDT, CHRM1, ACHE MCHR1 365/4885CYP1A2 110/4885LTA4H 690/4885
US-20240109860-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, CHRM1, ACHE MCHR1 365/4885CYP1A2 110/4885LTA4H 690/4885
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES CHRM1, DDT, ACHE MCHR1 278/4885CYP1A2 209/4885LTA4H 619/4885

“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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