SCHEMBL22820577

SCHEMBL22820577

CC(C)(C)OC(=O)N1CCC[C@H]1c1cc(Br)ccc1C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.46
KMT2A Q03164 2/20 0.44
UCHL1 P09936 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL29914412 1.00 USP30 (0.46) USP30KMT2AUCHL1NPSR1MAPT
SCHEMBL22820439 0.90 USP30 (0.46) USP30KMT2AUCHL1NPSR1MAPT
SCHEMBL28946618 0.85 TSHR (0.45) KMT2AUCHL1NPSR1MAPTNPC1
SCHEMBL28946619 0.85 TSHR (0.45) KMT2AUCHL1NPSR1MAPTNPC1
SCHEMBL30078355 0.85 TSHR (0.45) KMT2AUCHL1NPSR1MAPTNPC1
SCHEMBL22820517 0.85 AAK1 (0.37) USP30KMT2AUCHL1MAPTNR1H2
SCHEMBL22820737 0.85 PIK3CD (0.44) USP30KMT2AUCHL1NR1H2NR1H3
SCHEMBL22820604 0.83 CCR2 (0.37) USP30KMT2AUCHL1NR1H2NR1H3
SCHEMBL13740383 0.82 LMNA (0.48) USP30KMT2AUCHL1NPSR1MAPT
SCHEMBL24479083 0.81 USP30 (0.42) USP30KMT2AUCHL1NPSR1MAPT

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 3 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
US-20220169644-A1 BICYCLIC HPK1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-06-02 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 (2 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-20220169644-A1 BICYCLIC HPK1 INHIBITORS PCK1, PGK1, PDXK USP30 2293/4885KMT2A 2847/4885UCHL1 4438/4885
US-20220177458-A1 HPK1 INHIBITORS PGK1, PCK1, PDXK USP30 1783/4885KMT2A 2493/4885UCHL1 4321/4885

“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.