SCHEMBL25532121

SCHEMBL25532121

CN(Cc1ccc(-n2ccc(N)nc2=O)cc1)[C@H]1CCC[C@@H](N)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ PARP1 P09874 2/20 0.35
▸ TRPM8 Q7Z2W7 5/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ KCNJ1 P48048 1/20 0.31

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
SCHEMBL22254496 1.00 ROCK2 (0.43) ROCK2HRH3HRH4PARP1TRPM8
SCHEMBL22254243 0.94 ROCK2 (0.40) ROCK2HRH3HRH4PARP1MCHR1
SCHEMBL22254482 0.91 ROCK2 (0.38) ROCK2HRH3HRH4PARP1ALDH1A1
SCHEMBL25532123 0.91 ROCK2 (0.38) ROCK2HRH3HRH4PARP1ALDH1A1
SCHEMBL22254217 0.89 ROCK2 (0.38) ROCK2HRH3HRH4PARP1ALDH1A1
SCHEMBL25532075 0.89 ROCK2 (0.38) ROCK2HRH3HRH4PARP1ALDH1A1
SCHEMBL25532122 0.89 ROCK2 (0.41) ROCK2TRPM8ALDH1A1
SCHEMBL22254500 0.89 ROCK2 (0.41) ROCK2TRPM8ALDH1A1
SCHEMBL22254228 0.84 ROCK2 (0.39) ROCK2HRH3HRH4PARP1MCHR1
SCHEMBL22254236 0.83 ROCK2 (0.38) ROCK2TRPM8ALDH1A1MCHR1

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 2 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
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 2850/4885HRH3 2165/4885HRH4 2119/4885

“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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