SCHEMBL24110237

SCHEMBL24110237

CN(C)C1CC(n2ccc3cncnc32)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 9/20 0.39
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 1/20 0.35
NNMT P40261 1/20 0.34
MKNK1 Q9BUB5 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
EGFR P00533 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.31
UBA6 A0AVT1 2/20 0.30
CDK4 P11802 1/20 0.30
CDK6 Q00534 1/20 0.30

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
SCHEMBL24110222 0.80 NNMT (0.40) MKNK2PRMT5WDR77NNMTMKNK1
SCHEMBL2241217 0.80 MKNK2 (0.41) MKNK2PRMT5WDR77MKNK1ALDH1A1
SCHEMBL24110254 0.78 PARP1 (0.38) CYP2C19UBA6
SCHEMBL5356546 0.77 AURKA (0.43) MKNK2PRMT5WDR77ALDH1A1CYP1A2
SCHEMBL24110239 0.77 IRAK4 (0.37) EGFRIRAK4CDK4CDK6
SCHEMBL25956967 0.77 ALDH1A1 (0.38) MKNK2PRMT5WDR77NNMTMKNK1
SCHEMBL24109809 0.76 NNMT (0.37) MKNK2PRMT5WDR77NNMTMKNK1
SCHEMBL12984555 0.76 DGAT1 (0.42) MKNK2PRMT5WDR77NNMTMKNK1
SCHEMBL25958441 0.76 AURKA (0.44) MKNK2PRMT5WDR77CDK4
SCHEMBL24110311 0.76 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19EGFRIRAK4

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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
US-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. 2023-07-13 US disclosed
WO-2021252692-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF DELIX THERAPEUTICS, INC. (US) 2021-12-16 WO 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 (1 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-20230219969-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF GAP43, SLC18A2, PNMT MKNK2 1523/4885PRMT5 1869/4885WDR77 2752/4885

“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.