SCHEMBL19974782

SCHEMBL19974782

CC(C)CNC(=O)C1OC1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 2/20 0.41
MMP1 P03956 2/20 0.41
MMP8 P22894 2/20 0.41
EPHX1 P07099 2/20 0.38
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 4/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
NPC1 O15118 2/20 0.34
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.33
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
SCHEMBL16639434 0.76
SCHEMBL16488181 0.72 CHRNB2 (0.42) ALDH1A1MMP1EPHX1KDM4EHPGD
SCHEMBL16408013 0.72 ALDH1A1 (0.46) CYP2D6CYP2C19ALDH1A1MMP1MMP8
SCHEMBL16466637 0.71 CHRNB2 (0.37) ALDH1A1MMP1MMP8KMT2AGAA
SCHEMBL16639440 0.71 CHRNB2 (0.37) ALDH1A1MMP1MMP8KMT2AGAA
SCHEMBL2506531 0.71 CYP2D6 (0.46) CYP2D6CYP2C19ALDH1A1MMP1MMP8
SCHEMBL12425624 0.70 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1MMP1MMP8
SCHEMBL10770501 0.69 TET2 (0.45) CYP2C19ALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL19975293 0.69 TDP1 (0.47) CYP2D6CYP2C19ALDH1A1MMP1MMP8
SCHEMBL15199103 0.68 POLB (0.46) CYP2D6CYP2C19ALDH1A1EPHX1KMT2A

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 CYP2D6 798/4885CYP2C19 3198/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CYP2D6 562/4885CYP2C19 3143/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CYP2D6 798/4885CYP2C19 3198/4885ALDH1A1 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.