SCHEMBL25532205

SCHEMBL25532205

CC(Cc1ccc(-n2ccc(N)nc2=O)cc1)N1CCC(C2CCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.42
MCHR1 Q99705 3/20 0.33
KCNJ1 P48048 1/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM3 P20309 1/20 0.30

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
SCHEMBL22254829 0.91 ROCK2 (0.40) ROCK2MCHR1
SCHEMBL22249163 0.89 ROCK2 (0.39) ROCK2MCHR1KCNJ1KCNH2
SCHEMBL22248680 0.84 ROCK2 (0.38) ROCK2MCHR1KCNJ1KCNH2
SCHEMBL22254198 0.83 ROCK2 (0.41) ROCK2MCHR1
SCHEMBL22249169 0.83 ROCK2 (0.44) ROCK2MCHR1
SCHEMBL22254229 0.83 ROCK2 (0.41) ROCK2MCHR1
SCHEMBL22254235 0.83 ROCK2 (0.41) ROCK2MCHR1
SCHEMBL22248961 0.81 ROCK2 (0.37) ROCK2MCHR1
SCHEMBL22248952 0.80 ROCK2 (0.36) ROCK2MCHR1
SCHEMBL22248430 0.80 ROCK2 (0.37) ROCK2MCHR1

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 1 patent. 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

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 2850/4885MCHR1 4720/4885KCNJ1 1761/4885

“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.