SCHEMBL21770767

SCHEMBL21770767

CCN(CC)CCOc1ccc(C#N)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MCHR1 Q99705 3/20 0.41
SIGMAR1 Q99720 2/20 0.41
EBP Q15125 1/20 0.41
CYP1A2 P05177 1/20 0.40
LTA4H P09960 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
BIRC5 O15392 1/20 0.39
MAPT P10636 1/20 0.39
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 1/20 0.39
ALK Q9UM73 2/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL21770768 0.77 MCHR1 (0.54) MCHR1SIGMAR1EBPCYP1A2LTA4H
SCHEMBL25399599 0.76 SIGMAR1 (0.48) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL21770763 0.76 ALK (0.45) KDM4EALDH1A1HPGDMCHR1SIGMAR1
SCHEMBL21770766 0.74 SIGMAR1 (0.42) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL492266 0.72 MCHR1 (0.60) ALDH1A1MCHR1SIGMAR1EBPCYP1A2
SCHEMBL5856160 0.71 MCHR1 (0.59) ALDH1A1MCHR1SIGMAR1EBPCYP1A2
SCHEMBL2079638 0.70 NQO1 (0.43) KDM4EALDH1A1HTTMAPTKMT2A
SCHEMBL18296421 0.70 DUT (0.36)
SCHEMBL11580118 0.70 HTR7 (0.54) KDM4EALDH1A1HPGDALOX15HSD17B10
SCHEMBL9706125 0.68 EBP (0.72) MCHR1SIGMAR1EBPCYP1A2LTA4H

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 KDM4E 1052/4885ALDH1A1 1236/4885HPGD 3410/4885
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES CHRM1, DDT, ACHE KDM4E 1061/4885ALDH1A1 1249/4885HPGD 4095/4885

“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.