SCHEMBL19974884

SCHEMBL19974884

CCC(C(=O)C(=O)NCC1CCCCC1)N(C=O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
LMNA P02545 1/20 0.36
NAMPT P43490 1/20 0.36
KDM4C Q9H3R0 2/20 0.36
GLS O94925 1/20 0.35
CNR1 P21554 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 2/20 0.34
EPHX1 P07099 1/20 0.34
MEN1 O00255 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
SCHEMBL19975576 0.88 ROCK2 (0.37) NAMPTKDM4CSMN1; SMN2KMT2AEPHX1
SCHEMBL21176315 0.83 KDM4C (0.38) NAMPTKDM4CCNR1SMN1; SMN2CNR2
SCHEMBL19975407 0.82 ALDH1A1 (0.38) ALDH1A1PKMCYP3A4CYP2D6CYP2C9
SCHEMBL19974724 0.82 PTGIR (0.40) CYP2C19EPHX1
SCHEMBL19974807 0.75 SMN1; SMN2 (0.40) ALDH1A1TSHRNAMPTKDM4CSMN1; SMN2
SCHEMBL19975148 0.75 EPHX1 (0.45) ALDH1A1PKMSMN1; SMN2GAAKMT2A
SCHEMBL19975282 0.74 PTGIR (0.38) CYP2C19EPHX1
SCHEMBL19975208 0.73 EPHX1 (0.43) ALDH1A1SMN1; SMN2GAAKMT2AEPHX1
SCHEMBL21176203 0.73 KDM4C (0.39) ALDH1A1NAMPTKDM4CCNR1SMN1; SMN2
SCHEMBL19974885 0.73 ALDH1A1 (0.46) ALDH1A1PKMCYP3A4CYP2C9CYP2C19

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 ALDH1A1 2271/4885PKM 2897/4885CYP3A4 2207/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885PKM 3299/4885CYP3A4 1986/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885PKM 2897/4885CYP3A4 2207/4885

“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.