SCHEMBL22233893

SCHEMBL22233893

Nc1ccn(-c2ccc(CN[C@H]3CC[C@H](NC(=O)O)CC3)cc2)c(=O)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.51
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ SMYD3 Q9H7B4 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ TEAD1 P28347 1/20 0.34
▸ F10 P00742 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
SCHEMBL25532079 0.86 ROCK2 (0.54) ROCK2MEN1RAB9AKMT2AHDAC1
SCHEMBL22254226 0.86 ROCK2 (0.54) ROCK2MEN1RAB9AKMT2AHDAC1
SCHEMBL30400077 0.85 ROCK2 (0.46) ROCK2KMT2A
SCHEMBL22233627 0.84 ROCK2 (0.49) ROCK2POLBDRD4
SCHEMBL22233148 0.83 ROCK2 (0.37) ROCK2MAPK11MAPK14SMYD3KDM4E
SCHEMBL22254234 0.82 ROCK2 (0.57) ROCK2MEN1RAB9AKMT2A
SCHEMBL22233326 0.82 SIGMAR1 (0.47) ROCK2HDAC1DRD4
SCHEMBL22233606 0.82 ALDH1A1 (0.42) ROCK2MEN1KMT2AJAK2JAK1
SCHEMBL22254246 0.80 ROCK2 (0.55) ROCK2MEN1RAB9AKMT2A
SCHEMBL22233582 0.80 ROCK2 (0.39) ROCK2MAPK11MAPK14SMYD3MAPT

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — US disclosed
EP-3911644-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 — — EP disclosed
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 ROCK2 2850/4885MAPK11 3346/4885MAPK14 2676/4885

“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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