SCHEMBL25554064

SCHEMBL25554064

CCN(Cc1ccc(-n2ccc(N)nc2=O)cc1)C1CC[C@H](N)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MCHR1 Q99705 1/20 0.30
▸ TRPM8 Q7Z2W7 3/20 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
SCHEMBL22254236 1.00 ROCK2 (0.38) ROCK2KDM4EALDH1A1MCHR1TRPM8
SCHEMBL25532137 1.00 ROCK2 (0.38) ROCK2KDM4EALDH1A1MCHR1TRPM8
SCHEMBL25532122 0.95 ROCK2 (0.41) ROCK2KDM4EALDH1A1TRPM8
SCHEMBL22254500 0.95 ROCK2 (0.41) ROCK2KDM4EALDH1A1TRPM8
SCHEMBL22254220 0.94 ROCK2 (0.37) ROCK2KDM4EALDH1A1MCHR1
SCHEMBL25532052 0.94 ROCK2 (0.37) ROCK2KDM4EALDH1A1MCHR1
SCHEMBL22254830 0.92 ROCK2 (0.37) ROCK2
SCHEMBL25554777 0.92 ROCK2 (0.37) ROCK2
SCHEMBL22254827 0.90 ROCK2 (0.37) ROCK2
SCHEMBL25532202 0.90 ROCK2 (0.37) ROCK2

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 2850/4885KDM4E 3027/4885ALDH1A1 3752/4885

“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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