SCHEMBL22716585

SCHEMBL22716585

CC(C)(C)OC(=O)N1CCn2nc(CO)c(I)c2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.39
▸ ESR2 Q92731 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ DTYMK P23919 1/20 0.34
▸ F12 P00748 1/20 0.34
▸ STS P08842 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ GRM5 P41594 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
SCHEMBL22435393 0.85 NR1H2 (0.39) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL26645063 0.82 NR1H2 (0.38) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL22718580 0.80 NR1H2 (0.37) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL22718582 0.80 GRM5 (0.35) GRM5
SCHEMBL22718630 0.79 NR1H2 (0.36) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL30793319 0.78 MEN1 (0.37) NR1H2ESR2USP2SMN1; SMN2MAPT
SCHEMBL26890664 0.78 MEN1 (0.42) NR1H2ESR2USP2SMN1; SMN2ALDH1A1
SCHEMBL23995852 0.78 DDB1 (0.38) NR1H2ALDH1A1MAPTMAPK1POLB
SCHEMBL31035864 0.77 NR1H2 (0.34) NR1H2ESR2ALDH1A1LMNAMAPT
SCHEMBL25434412 0.77 POLB (0.40) ESR2USP2SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242879-A1 FUSED HETEROCYCLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-08-04 — — US disclosed
US-20220153754-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-05-19 — — US disclosed
EP-3976620-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 — — EP disclosed
EP-3976619-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 — — EP disclosed
WO-2020239864-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 — — WO disclosed
WO-2020243153-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 — — 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-20220153754-A1 FUSED HETEROCYCLE DERIVATIVES AS CAPSID ASSEMBLY MODULATORS ZC3HAV1, CALM1, ZC3HAV1L NR1H2 1610/4885ESR2 1746/4885USP2 2619/4885
US-20220242879-A1 FUSED HETEROCYCLE DERIVATIVES HAVCR2, HCCS, CYP3A4 NR1H2 59/4885ESR2 449/4885USP2 3946/4885

“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.

Send feedback