SCHEMBL19974852

SCHEMBL19974852

CCCC(C(O)C(=O)NCC1CC1)N(C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.42
PTGIR P43119 7/20 0.38
BCHE P06276 3/20 0.36
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SLC6A2 P23975 1/20 0.34

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
SCHEMBL19975370 0.91 PTGIR (0.40) GPR88PTGIRBCHECYP2C19KDM4E
SCHEMBL19975274 0.86 PTGIR (0.41) GPR88PTGIRBCHECYP2C19KDM4E
SCHEMBL19974931 0.85 GPR88 (0.40) GPR88
SCHEMBL19975199 0.83 PTGIR (0.39) GPR88PTGIRBCHECYP2C19ALDH1A1
SCHEMBL19974728 0.81 BCHE (0.42) PTGIRBCHEALDH1A1SLC6A2
SCHEMBL19975353 0.81 BCHE (0.45) BCHEALDH1A1SLC6A2
SCHEMBL21176166 0.81 BCHE (0.46) BCHEALDH1A1
SCHEMBL19975282 0.80 PTGIR (0.38) GPR88PTGIRCYP2C19SLC6A2
SCHEMBL19975386 0.76 POLB (0.43) ALDH1A1
SCHEMBL19975442 0.75 PKM (0.41)

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 GPR88 1894/4885PTGIR 540/4885BCHE 1677/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C GPR88 2316/4885PTGIR 679/4885BCHE 1540/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C GPR88 1894/4885PTGIR 540/4885BCHE 1677/4885

“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.