SCHEMBL19975136

SCHEMBL19975136

CC(C(=O)C(=O)NCC1CCC1)N(C=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SLC6A2 P23975 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 6/20 0.37
PTGIR P43119 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL19975208 0.98 EPHX1 (0.43) EPHX1OPRK1ALDH1A1GAASMN1; SMN2
SCHEMBL19975148 0.96 EPHX1 (0.45) EPHX1OPRK1ALDH1A1GAASMN1; SMN2
SCHEMBL21176277 0.95 PTGIR (0.41) EPHX1PTGIR
SCHEMBL19974807 0.85 SMN1; SMN2 (0.40) EPHX1ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL19975512 0.83 PTGIR (0.40) ALDH1A1SMN1; SMN2PTGIRKMT2ANPC1
SCHEMBL28316641 0.83 SMN1; SMN2 (0.45) EPHX1ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL19975529 0.83 PTGIR (0.40) EPHX1ALDH1A1SMN1; SMN2PTGIR
SCHEMBL19975287 0.83 PTGIR (0.47) OPRK1ALDH1A1GAASMN1; SMN2L3MBTL1
SCHEMBL21176355 0.82 SMN1; SMN2 (0.44) EPHX1OPRK1ALDH1A1GAASMN1; SMN2
SCHEMBL19975567 0.82 ALDH1A1 (0.46) EPHX1OPRK1ALDH1A1GAASMN1; SMN2

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 5 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-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 EPHX1 372/4885OPRK1 1531/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C EPHX1 449/4885OPRK1 1410/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885OPRK1 1531/4885ALDH1A1 2271/4885

“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.