SCHEMBL19974709

SCHEMBL19974709

CC(C(=O)C(=O)NCc1cccc(Cl)c1)N(C)C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
SLC2A1 P11166 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL19975432 0.88 GABRP (0.43) OPRM1OPRL1GABRPGABRDGABRA1
SCHEMBL19975402 0.86 MASP2 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19975522 0.85 GABRP (0.41) OPRM1OPRL1GABRPGABRDGABRA1
SCHEMBL19975316 0.85 MASP2 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19975182 0.81 ALDH1A1 (0.48) ALDH1A1GAAL3MBTL1MASP2RXFP1
SCHEMBL21176326 0.81 MASP2 (0.45) OPRM1OPRL1GABRPGABRDGABRA1
SCHEMBL19974811 0.81 MASP2 (0.47) OPRM1OPRL1SLC2A1ALDH1A1GAA
SCHEMBL19975313 0.81 ALDH1A1 (0.52) ALDH1A1GAAL3MBTL1RXFP1NPC1
SCHEMBL21183547 0.81 KMT2A (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21176388 0.80 ALDH1A1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C OPRM1 2692/4885OPRL1 1821/4885GABRP 3822/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C OPRM1 2605/4885OPRL1 1762/4885GABRP 3733/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C OPRM1 2692/4885OPRL1 1821/4885GABRP 3822/4885

“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.