SCHEMBL22820737

SCHEMBL22820737

CC(C)(C)OC(=O)N1CC(O)CC1c1cc(Br)ccc1C1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 2/20 0.37
CCR2 P41597 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
USP30 Q70CQ3 4/20 0.36
KMT2A Q03164 1/20 0.33
FPR2 P25090 1/20 0.33
UCHL1 P09936 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL22820711 0.87 NR1H2 (0.35) PIK3CDNR1H2NR1H3CCR2AAK1
SCHEMBL22820577 0.85 USP30 (0.46) POLBNR1H2NR1H3AAK1USP30
SCHEMBL29914412 0.85 USP30 (0.46) POLBNR1H2NR1H3AAK1USP30
SCHEMBL31401133 0.83 CYP1A2 (0.52) PIK3CDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL22820517 0.83 AAK1 (0.37) PIK3CDNR1H2NR1H3CCR2AAK1
SCHEMBL22820604 0.80 CCR2 (0.37) NR1H2NR1H3CCR2AAK1USP30
SCHEMBL23064594 0.78 RIPK1 (0.43) PIK3CDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL22820710 0.78 AAK1 (0.34) AAK1SMN1; SMN2
SCHEMBL25847099 0.76 CYP1A2 (0.37) PIK3CDCYP1A2POLBCYP3A4CYP2C19
SCHEMBL31316866 0.76 NR1H2 (0.49) PIK3CDCYP1A2POLBCYP3A4CYP2C19

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-20220177458-A1 HPK1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-06-09 US disclosed
WO-2020255022-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND AMINOPYRIDINE DERIVATIVES AS HPK1 INHIBITORS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 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-20220177458-A1 HPK1 INHIBITORS PGK1, PCK1, PDXK PIK3CD 1287/4885CYP1A2 3766/4885POLB 1924/4885

“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.