SCHEMBL22144166

SCHEMBL22144166

CCOC(=O)CN(Cc1ccccc1)C(=O)CCC(=O)OC

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.50
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 4/20 0.48
NPC1 O15118 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
PPID Q08752 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL691909 0.93 SMN1; SMN2 (0.56) PIN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL3211799 0.89 PIN1 (0.52) PIN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL23513252 0.88 SMN1; SMN2 (0.51) PIN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL9686760 0.87 PIN1 (0.53) PIN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL3211795 0.86 PIN1 (0.50) PIN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL13260886 0.86 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1KDM4ERAB9A
SCHEMBL3213534 0.85 ALDH1A1 (0.55) PIN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL5941081 0.85 PIN1 (0.56) PIN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4108739 0.85 LMNA (0.53) PIN1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL3213531 0.83 PIN1 (0.52) PIN1ALDH1A1SMN1; SMN2LMNANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
WO-2020125730-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-25 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 (1 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-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL PIN1 2106/4885ALDH1A1 1615/4885SMN1; SMN2 4696/4885

“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.