SCHEMBL21770769

SCHEMBL21770769

CCN(CC)CCOc1ccc(CO)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
MCHR1 Q99705 2/20 0.51
HTT P42858 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
LTA4H P09960 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
CHRNA7 P36544 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
POLB P06746 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 1/20 0.46
KCNH2 Q12809 2/20 0.45
ESR1 P03372 2/20 0.45
CHRM2 P08172 2/20 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
SCHEMBL3334122 0.82 LTA4H (0.46) CYP2D6CYP1A2LTA4HCYP2C9CYP2C19
SCHEMBL11471063 0.82 LTA4H (0.46) HTTLTA4HCYP2C9KMT2AMAPT
SCHEMBL21750630 0.81 CHRNB2 (0.40) MCHR1LTA4HHRH3
SCHEMBL23554538 0.78 NQO1 (0.50) LTA4HKMT2AMAPTNPSR1ADRA2A
SCHEMBL29550500 0.78 NQO1 (0.50) LTA4HKMT2AMAPTNPSR1ADRA2A
SCHEMBL30969232 0.78 MAOB (0.49) EBPSIGMAR1HTTCYP2D6CYP1A2
SCHEMBL9334195 0.78 NR5A1 (0.54) LTA4HMAPTPOLBSMN1; SMN2HTR2A
SCHEMBL16964111 0.78 EBP (0.51) EBPSIGMAR1MCHR1HTTCYP2D6
SCHEMBL25398583 0.78 EBP (0.51) EBPSIGMAR1MCHR1HTTCYP2D6
SCHEMBL11384767 0.78 NCF1 (0.43) KMT2ASMN1; SMN2KDM4EMEN1HRH3

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-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-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DISCOVERY PURCHASER CORPORATION 2020-02-27 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 (2 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 EBP 3033/4885SIGMAR1 2354/4885MCHR1 365/4885
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES CHRM1, DDT, ACHE EBP 3139/4885SIGMAR1 2088/4885MCHR1 278/4885

“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.