SCHEMBL25532075

SCHEMBL25532075

CN(Cc1ccc(-n2ccc(N)nc2=O)cc1)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37
▸ PARP1 P09874 1/20 0.34
▸ MCHR1 Q99705 2/20 0.34
▸ KCNJ1 P48048 1/20 0.34
▸ OPRM1 P35372 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ENPP2 Q13822 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ PDE1B Q01064 1/20 0.32

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
SCHEMBL22254217 1.00 ROCK2 (0.38) ROCK2HRH3HRH4PARP1MCHR1
SCHEMBL22254243 0.94 ROCK2 (0.40) ROCK2HRH3HRH4PARP1MCHR1
SCHEMBL25532121 0.89 ROCK2 (0.43) ROCK2HRH3HRH4PARP1MCHR1
SCHEMBL25554604 0.89 CHIA (0.40) ROCK2MCHR1KCNJ1
SCHEMBL22254496 0.89 ROCK2 (0.43) ROCK2HRH3HRH4PARP1MCHR1
SCHEMBL22248689 0.89 CHIA (0.40) ROCK2MCHR1KCNJ1
SCHEMBL25532123 0.89 ROCK2 (0.38) ROCK2HRH3HRH4PARP1MCHR1
SCHEMBL22254482 0.89 ROCK2 (0.38) ROCK2HRH3HRH4PARP1MCHR1
SCHEMBL22254220 0.87 ROCK2 (0.37) ROCK2MCHR1ALDH1A1KDM4E
SCHEMBL25532052 0.87 ROCK2 (0.37) ROCK2MCHR1ALDH1A1KDM4E

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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