SCHEMBL25317380

SCHEMBL25317380

CC(C)(C)OC(=O)NCC1(C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
HCRTR2 O43614 1/20 0.41
CTSK P43235 9/20 0.40
CTSS P25774 8/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CTSB P07858 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL16037814 0.90 HCRTR2 (0.42) CTSLHCRTR2CTSKCTSSTDP1
SCHEMBL23070898 0.90 CTSL (0.39) CTSLHCRTR2CTSKCTSSTDP1
SCHEMBL23220045 0.84 RORC (0.42) CTSLHCRTR2CTSKCTSSMEN1
SCHEMBL29620653 0.84 RORC (0.42) CTSLHCRTR2CTSKCTSSMEN1
SCHEMBL31434462 0.83 KCNH2 (0.39) CTSLHCRTR2CTSKMEN1KMT2A
SCHEMBL6802979 0.80 CTSL (0.40) CTSLHCRTR2CTSKCTSSTDP1
SCHEMBL13185344 0.78 HCRTR2 (0.40) CTSLHCRTR2CTSKCTSSTDP1
SCHEMBL25403363 0.78 CTSS (0.41) CTSLHCRTR2CTSKCTSSTDP1
SCHEMBL23894814 0.77 DPP4 (0.35)
SCHEMBL5642888 0.76 CTSL (0.38) CTSLHCRTR2CTSKCTSSTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466258-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2024-11-27 EP disclosed
US-20240383875-A1 Benzimidazole Pyridine Derivatives HOFFMANN-LA ROCHE INC. (US) 2024-11-21 US disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 WO disclosed
WO-2023139085-A1 NEW BENZIMIDAZOLE PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2023-07-27 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-20240383875-A1 Benzimidazole Pyridine Derivatives H1-3, H1-2, H1-4 CTSL 1888/4885HCRTR2 1253/4885CTSK 2006/4885

“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.