SCHEMBL19975429

SCHEMBL19975429

O=CN(Cc1ccccc1)C(C1CC1)C(O)C(=O)NCC1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
CXCR3 P49682 2/20 0.38
MAOA P21397 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 3/20 0.36
NAPEPLD Q6IQ20 1/20 0.36
CTSD P07339 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ADAM17 P78536 1/20 0.35

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
SCHEMBL21183511 0.93 NAPEPLD (0.39) PTGESCXCR3MAOANAPEPLDCTSD
SCHEMBL19974757 0.85 SMN1; SMN2 (0.42) PTGESCXCR3MAOASMN1; SMN2ALDH1A1
SCHEMBL19975305 0.80 CXCR3 (0.41) PTGESCXCR3MAOASMN1; SMN2ALDH1A1
SCHEMBL21183555 0.79 PTGES (0.42) PTGESCXCR3MAOANAPEPLDCYP3A4
SCHEMBL19974934 0.75 PTGES (0.43) PTGESCXCR3MAOASMN1; SMN2ALDH1A1
SCHEMBL19975068 0.75 PTGES (0.43) PTGESCXCR3MAOASMN1; SMN2ALDH1A1
SCHEMBL19974959 0.74 CTSD (0.30) CTSD
SCHEMBL19974816 0.73 HDAC3 (0.41) MAOAALDH1A1
SCHEMBL19974924 0.73 NAPEPLD (0.40) PTGESCXCR3ALDH1A1NAPEPLDCTSD
SCHEMBL19975088 0.72 CTSD (0.39) ALDH1A1NAPEPLDCTSD

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 8 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
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 PTGES 138/4885CXCR3 430/4885MAOA 1107/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C PTGES 149/4885CXCR3 637/4885MAOA 990/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C PTGES 138/4885CXCR3 430/4885MAOA 1107/4885

“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.