SCHEMBL21916643

SCHEMBL21916643

CC(C)N[C@@H]1CCCC[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
PIM1 P11309 2/20 0.37
ADRB2 P07550 1/20 0.36
MGAM O43451 2/20 0.33
SI P14410 2/20 0.33
SLC18A3 Q16572 1/20 0.33
HTR1A P08908 2/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL14017850 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL13741733 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL25590418 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL14017853 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL104103 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL21309834 1.00 CA1 (0.40) CA1CA2CA4PIM1ADRB2
SCHEMBL23970227 0.98 CA1 (0.39) CA1CA2CA4PIM1ADRB2
SCHEMBL25589779 0.98 CA1 (0.39) CA1CA2CA4PIM1ADRB2
SCHEMBL8905513 0.98 CA1 (0.39) CA1CA2CA4PIM1ADRB2
SCHEMBL25589781 0.98 CA1 (0.39) CA1CA2CA4PIM1ADRB2

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-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 US disclosed
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 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 (4 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-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP CA1 4284/4885CA2 4777/4885CA4 4739/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP CA1 4284/4885CA2 4777/4885CA4 4739/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP CA1 4284/4885CA2 4777/4885CA4 4739/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 CA1 3437/4885CA2 2956/4885CA4 4502/4885

“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.