SCHEMBL21770764

SCHEMBL21770764

CCN(CC)CCOc1ccc(CO)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.47
CYP1A2 P05177 1/20 0.44
LTA4H P09960 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD3 P35462 1/20 0.42
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL20550551 0.81 CHEK2 (0.36) LTA4HHRH3
SCHEMBL31434245 0.81 CHEK2 (0.36) LTA4HHRH3
SCHEMBL2488282 0.78 MAPT (0.53) HTTKDM4E
SCHEMBL9446671 0.78 MAPT (0.39) LTA4HALDH1A1LMNAHRH3
SCHEMBL10849679 0.78 BIRC5 (0.42) BIRC5CYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL9935084 0.77 CYP2D6 (0.66) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL1844682 0.77 ACACB (0.45) LTA4HHRH3
SCHEMBL21770766 0.75 SIGMAR1 (0.42) BIRC5CYP1A2LTA4HCYP2D6CYP2C9
SCHEMBL30969236 0.75 NNMT (0.56) CYP1A2CYP2D6CYP2C19EBPSIGMAR1
SCHEMBL24315471 0.74 CHRNB2 (0.41) LTA4HKDM4EALDH1A1LMNAHRH3

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 BIRC5 536/4885CYP1A2 110/4885LTA4H 690/4885
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES CHRM1, DDT, ACHE BIRC5 471/4885CYP1A2 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.