SCHEMBL29538560

SCHEMBL29538560

[2H]c1nn(C)c(C)c1NCCCCOC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ APOBEC3A P31941 1/20 0.31
▸ APOBEC3G Q9HC16 1/20 0.31
▸ BRD4 O60885 3/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 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
SCHEMBL29539179 0.81 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2ABLM
SCHEMBL28855498 0.64 PTGER4 (0.39) MAPTAGTR1NTSR1HTTALDH1A1
SCHEMBL10584115 0.63 CHRM2 (0.40) MAPTHTTALDH1A1PTGS2MEN1
SCHEMBL68495 0.63 ALDH1A1 (0.56) ALDH1A1APOBEC3AAPOBEC3GCHRM2CHRM4
SCHEMBL189930 0.62 ALDH1A1 (0.74) ALDH1A1PTGS2APOBEC3AAPOBEC3GCHRM2
SCHEMBL5953248 0.61 ALDH1A1 (0.54) ALDH1A1PTGS2APOBEC3AAPOBEC3GCHRM2
SCHEMBL23471339 0.60 ALDH1A1 (0.52) ALDH1A1PTGS2KDM4EAPOBEC3AAPOBEC3G
SCHEMBL27903170 0.60 ALDH1A1 (0.52) ALDH1A1APOBEC3AAPOBEC3GCHRM2CHRM4
SCHEMBL21568850 0.60 ALDH1A1 (0.52) ALDH1A1PTGS2KDM4EAPOBEC3AAPOBEC3G
SCHEMBL11441088 0.60 KDM4E (0.62) ALDH1A1KDM4EL3MBTL1

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-12358919-B2 Antibacterial compounds UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2025-07-15 — — US disclosed
US-20220235059-A1 ANTIBACTERIAL COMPOUNDS UNIVERSITA' DEGLI STUDI DI SIENA (IT) 2022-07-28 — — US disclosed
EP-3980418-A1 ANTIBACTERIAL COMPOUNDS Universita' Degli Studi di Siena (IT) 2022-04-13 — — 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-12358919-B2 Antibacterial compounds ABCB11, CFTR, MRPL21 MAPT 2395/4885AGTR1 3129/4885NTSR1 2459/4885
US-20220235059-A1 ANTIBACTERIAL COMPOUNDS ABCB11, CFTR, MRPL21 MAPT 2395/4885AGTR1 3129/4885NTSR1 2459/4885

“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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