SCHEMBL21770766

SCHEMBL21770766

CCN(CC)CCOc1ccc(CO)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.42
EBP Q15125 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
BIRC5 O15392 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD3 P35462 1/20 0.39
HTT P42858 2/20 0.38
CYP1A2 P05177 1/20 0.38
LTA4H P09960 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL20489950 0.80 NPC1 (0.46) CYP1A2LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL19364256 0.78 HTT (0.42) ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL25399599 0.78 SIGMAR1 (0.48) SIGMAR1EBPKDM4EALDH1A1BIRC5
SCHEMBL23554543 0.77 ACACB (0.38) ALDH1A1LMNA
SCHEMBL29549878 0.77 ACACB (0.38) ALDH1A1LMNA
SCHEMBL23530213 0.76 SLC5A2 (0.34) ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL23530283 0.76 SLC5A2 (0.33) KDM4EALDH1A1LMNA
SCHEMBL21770764 0.75 BIRC5 (0.47) SIGMAR1EBPKDM4EALDH1A1BIRC5
SCHEMBL21770769 0.75 EBP (0.53) SIGMAR1EBPKDM4EDRD1DRD3
SCHEMBL21770767 0.74 KDM4E (0.42) SIGMAR1EBPKDM4EALDH1A1BIRC5

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 SIGMAR1 2354/4885EBP 3033/4885KDM4E 1052/4885
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES CHRM1, DDT, ACHE SIGMAR1 2088/4885EBP 3139/4885KDM4E 1061/4885

“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.