SCHEMBL30161883

SCHEMBL30161883

CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.48
▸ BCHE P06276 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ ATM Q13315 1/20 0.41
▸ NT5E P21589 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL28809883 1.00 PDE4B (0.48) PDE4BBCHETDP1HTTATM
SCHEMBL28809281 0.94 PDE4B (0.47) PDE4BBCHETDP1HTTATM
SCHEMBL30161850 0.94 PDE4B (0.47) PDE4BBCHETDP1HTTATM
SCHEMBL28528480 0.91 PDE4B (0.52) PDE4BHTTSMN1; SMN2NPC1RAB9A
SCHEMBL28542887 0.91 PDE4B (0.52) PDE4BHTTSMN1; SMN2NPC1RAB9A
SCHEMBL2348366 0.87 BCHE (0.44) PDE4BBCHETDP1HTTATM
SCHEMBL2348371 0.87 BCHE (0.44) PDE4BBCHETDP1HTTATM
SCHEMBL20549043 0.87 BCHE (0.45) PDE4BBCHETDP1ATMNT5E
SCHEMBL19063874 0.87 BCHE (0.45) PDE4BBCHETDP1ATMNT5E
SCHEMBL19063875 0.87 BCHE (0.45) PDE4BBCHETDP1ATMNT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002408-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2023-01-05 — — US 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-20230002408-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL PDE4B 2052/4885BCHE 698/4885TDP1 1909/4885

“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.

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