SCHEMBL23907279

SCHEMBL23907279

CCOC(=O)C1=C([O-])CCN(C2CC2)C1=O.[Na+]

nearest known ligand 0.38

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 known ✓ P14867 2/20 0.33
GABRG2 known ✓ P18507 2/20 0.33
GABRB3 known ✓ P28472 2/20 0.33
GABRA5 known ✓ P31644 2/20 0.33
GABRA3 known ✓ P34903 2/20 0.33
GABRA2 known ✓ P47869 1/20 0.33
GABRA6 known ✓ Q16445 1/20 0.33
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
ALDH1A1 P00352 5/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 4/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL22216205 0.83 SMN1; SMN2 (0.43) AKR1C3AKR1C2ALDH1A1TSHRL3MBTL1
SCHEMBL28425324 0.82 SMN1; SMN2 (0.43) AKR1C3AKR1C2ALDH1A1TSHRL3MBTL1
SCHEMBL30329619 0.82 SMN1; SMN2 (0.43) AKR1C3AKR1C2ALDH1A1TSHRL3MBTL1
SCHEMBL29441571 0.69 L3MBTL1 (0.39) AKR1C3AKR1C2ALDH1A1TSHRL3MBTL1
SCHEMBL22323003 0.66 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL20726604 0.65 GABRA1 (0.48) AKR1C3AKR1C2ALDH1A1MAPK1KMT2A
SCHEMBL19736052 0.63 ALDH1A1 (0.39) ALDH1A1TSHRL3MBTL1MAPK1KMT2A
SCHEMBL12497667 0.63 MAPT (0.45) ALDH1A1TSHRL3MBTL1KMT2AMEN1
SCHEMBL23918399 0.62 SMN1; SMN2 (0.41) AKR1C3AKR1C2ALDH1A1TSHRL3MBTL1
SCHEMBL23918388 0.62 ALDH1A1 (0.53) AKR1C3AKR1C2ALDH1A1TSHRMAPK1

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-12371432-B2 Haloallylamine compounds and application thereof TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-07-29 US disclosed
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TransThera Sciences (Nanjing), Inc (CN) 2022-03-17 US disclosed
EP-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 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-12371432-B2 Haloallylamine compounds and application thereof ADRA1D, ADRA1A, VAPA GABRA1 246/4885GABRG2 2136/4885GABRB3 1022/4885
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF ADRA1D, ADRA1A, VAPA GABRA1 246/4885GABRG2 2136/4885GABRB3 1022/4885

“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.