SCHEMBL22644358

SCHEMBL22644358

C[C@H]1C[C@H](C#N)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
AR P10275 1/20 0.38
NR1H2 P55055 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TSHR P16473 1/20 0.37
DPP4 P27487 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL9383049 1.00 CTSK (0.39) CTSKARNR1H2MEN1ALDH1A1
SCHEMBL25866969 1.00 CTSK (0.39) CTSKARNR1H2MEN1ALDH1A1
SCHEMBL5431465 1.00 CTSK (0.39) CTSKARNR1H2MEN1ALDH1A1
SCHEMBL5431463 1.00 CTSK (0.39) CTSKARNR1H2MEN1ALDH1A1
SCHEMBL7879740 0.86 MEN1 (0.39) CTSKARMEN1ALDH1A1MAPT
SCHEMBL7879359 0.86 MEN1 (0.39) CTSKARMEN1ALDH1A1MAPT
SCHEMBL15935560 0.86 HSD17B10 (0.39) CTSKARNR1H2MEN1ALDH1A1
SCHEMBL31001802 0.85 CTSK (0.40) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL31001833 0.85 CTSK (0.40) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL31068999 0.85 CTSK (0.40) CTSKMEN1ALDH1A1MAPTKMT2A

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-11491148-B2 Amide derivatives useful in the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2022-11-08 US disclosed
EP-3966205-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-03-16 EP disclosed
US-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2020-11-12 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 (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-20200352925-A1 AMIDE DERIVATIVES USEFUL IN THE TREATMENT OF HBV INFECTION OR HBV-INDUCED DISEASES HDGF, FABP1, NR1H4 CTSK 2291/4885AR 3755/4885NR1H2 8/4885
US-11491148-B2 Amide derivatives useful in the treatment of HBV infection or HBV-induced diseases HDGF, HAVCR2, FABP1 CTSK 2284/4885AR 4173/4885NR1H2 11/4885

“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.