SCHEMBL24213508

SCHEMBL24213508

CCOC(=O)c1cc(C(=O)OCC)n(CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ SERPINE1 P05121 1/20 0.38
▸ DRD2 P14416 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GFER P55789 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL26111115 0.86 DRD2 (0.41) KDM4EMAPTSERPINE1DRD2TDP1
SCHEMBL26110581 0.85 BRD4 (0.41) MAPTALDH1A1KMT2A
SCHEMBL22825015 0.80 BRD4 (0.43) KDM4EMAPTNPSR1DRD2TDP1
SCHEMBL28343486 0.79 CAMK2D (0.40) KDM4EMAPTNPSR1ADORA3ADORA2A
SCHEMBL28346408 0.77 CAMK2D (0.39) KDM4EMAPTNPSR1ADORA3ADORA2A
SCHEMBL2563051 0.76 CRHBP (0.42) KDM4EMAPTNPSR1ADORA3ADORA2A
SCHEMBL29237103 0.76 DRD2 (0.41) DRD2TDP1ALDH1A1GFERMEN1
SCHEMBL9926426 0.75 ADORA3 (0.42) KDM4EMAPTNPSR1ADORA3ADORA2A
SCHEMBL16270149 0.75 ADORA3 (0.40) KDM4EMAPTNPSR1ADORA3ADORA2A
SCHEMBL27141102 0.75 DRD2 (0.39) KDM4EMAPTNPSR1ADORA3ADORA2A

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-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 — — US disclosed
US-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO. LTD. (CN) 2023-08-17 — — US disclosed
WO-2022012409-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-20 — — WO disclosed
CN-113929678-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-01-14 — — CN 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-20230257376-A1 ROCK INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, ROCK2, RHOT2 KDM4E 1843/4885MAPT 2003/4885NPSR1 4533/4885

“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.

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