SCHEMBL26698331

SCHEMBL26698331

CCOC(=O)C(C#N)C1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL31094788 0.98 ALDH1A1 (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL11704069 0.98 ALDH1A1 (0.44) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL16424346 0.96 ALDH1A1 (0.39) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL546205 0.93 L3MBTL1 (0.41) ALDH1A1NPSR1TSHRL3MBTL1MEN1
SCHEMBL9630324 0.85 L3MBTL1 (0.50) ALDH1A1TSHRL3MBTL1THRBATM
SCHEMBL25471357 0.85 SLC6A2 (0.44) ALDH1A1TSHRL3MBTL1MEN1GAA
SCHEMBL9762735 0.85 ALDH1A1 (0.43) ALDH1A1NPSR1TSHRL3MBTL1MEN1
SCHEMBL31724386 0.83 ALDH1A1 (0.42) ALDH1A1NPSR1TSHRL3MBTL1MEN1
SCHEMBL19815566 0.83 CPN1 (0.42) ALDH1A1NPSR1TSHRL3MBTL1ATM
SCHEMBL20298656 0.82 ALDH1A1 (0.42) ALDH1A1NPSR1TSHRL3MBTL1ATM

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
US-20250346616-A1 ROCK INHIBITORS AND USES THEREOF DIZAL JIANGSU PHARMACEUTICAL CO LTD (CN) 2025-11-13 US disclosed
EP-4532484-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2025-04-09 EP disclosed
CN-119173509-A ROCK inhibitors and uses thereof 迪哲(江苏)医药股份有限公司 2024-12-20 CN disclosed
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 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-20250346616-A1 ROCK INHIBITORS AND USES THEREOF ROCK1, ROCK2, RHOA ALDH1A1 2229/4885NPSR1 4247/4885TSHR 3777/4885

“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.