SCHEMBL30227197

SCHEMBL30227197

CN(C)CCOc1c(N)cccc1NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
BACE1 P56817 1/20 0.47
CACNA1B Q00975 6/20 0.46
LTA4H P09960 2/20 0.43
HDAC1 Q13547 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 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
SCHEMBL23609223 1.00 HTR6 (0.48) HTR6BACE1CACNA1BLTA4HHDAC1
SCHEMBL23609192 0.88 ACHE (0.49) CACNA1BHDAC1KEAP1NFE2L2DRD2
SCHEMBL29973287 0.88 ACHE (0.49) CACNA1BHDAC1KEAP1NFE2L2DRD2
SCHEMBL30405874 0.81 MAPT (0.47) LTA4HKEAP1NFE2L2DRD2DRD1
SCHEMBL23609416 0.81 MAPT (0.47) LTA4HKEAP1NFE2L2DRD2DRD1
SCHEMBL23609776 0.79 MAPT (0.47) HTR6CACNA1BDRD2
SCHEMBL29973153 0.79 MAPT (0.47) HTR6CACNA1BDRD2
SCHEMBL23609225 0.75 CACNA1B (0.48) CACNA1BLTA4HKEAP1NFE2L2HSD17B10
SCHEMBL25783481 0.75 HTR6 (0.42) HTR6CACNA1BLTA4HDRD2DRD1
SCHEMBL23608982 0.75 HTR6 (0.43) HTR6BACE1CACNA1BLTA4HDRD2

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-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230117592-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-04-20 US disclosed
EP-4125874-A1 LIPOXYGENASE INHIBITORS SRI International (US) 2023-02-08 EP 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-20230117592-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX5 HTR6 1184/4885BACE1 286/4885CACNA1B 3477/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 HTR6 1100/4885BACE1 119/4885CACNA1B 3370/4885

“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.