SCHEMBL26969130

SCHEMBL26969130

CN(CCN(C)C(=O)OC(C)(C)C)Cc1nn2c(c1Br)CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.47
▸ TMEM97 Q5BJF2 9/20 0.37
▸ SIGMAR1 Q99720 9/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ HTR2C P28335 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ HRH2 P25021 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR1E P28566 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35

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
SCHEMBL26969107 0.81 PRMT1 (0.49) PRMT1TMEM97SIGMAR1PARP1HTR2C
SCHEMBL25408322 0.79 MEN1 (0.41) TMEM97SIGMAR1PARP1HTR2CSLC6A4
SCHEMBL26969090 0.78 MEN1 (0.45) PRMT1TMEM97SIGMAR1HTR2CSLC6A4
SCHEMBL21315322 0.77 PRMT1 (0.41) PRMT1
SCHEMBL20451406 0.72 TMEM97 (0.41) TMEM97SIGMAR1PARP1HTR2CSLC6A4
SCHEMBL30802045 0.72 SIGMAR1 (0.48) TMEM97SIGMAR1PARP1HTR1AHRH2
SCHEMBL30802046 0.72 SIGMAR1 (0.48) TMEM97SIGMAR1PARP1HTR1AHRH2
SCHEMBL26969129 0.72 MEN1 (0.44) TMEM97SIGMAR1HTR2CSLC6A4HTR1A
SCHEMBL24112495 0.71 MEN1 (0.49) SIGMAR1PARP1MEN1KMT2ANPSR1
SCHEMBL29911282 0.71 L3MBTL1 (0.43) TMEM97SIGMAR1HTR2CHTR1AHRH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416261-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES UNIV TEXAS (US) 2023-12-28 — — US disclosed
WO-2022192527-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-15 — — 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-20230416261-A1 ETHANEDIAMINE-HETEROCYCLE DERIVATIVES AS INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES PRMT1, PRMT7, PRMT5 PRMT1 1/4885TMEM97 3114/4885SIGMAR1 3411/4885

“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.

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