SCHEMBL25532200

SCHEMBL25532200

Nc1ccn(-c2ccc(CN3CC[C@H](N)[C@@H](F)C3)cc2)c(=O)n1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.50
KCNH2 Q12809 3/20 0.34
GPR119 Q8TDV5 3/20 0.34
MCHR1 Q99705 6/20 0.34
HRH3 Q9Y5N1 1/20 0.31
CCR2 P41597 1/20 0.31
ROCK1 Q13464 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
CYP19A1 P11511 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
SCHEMBL22254828 1.00 ROCK2 (0.50) ROCK2KCNH2GPR119MCHR1HRH3
SCHEMBL22254182 1.00 ROCK2 (0.50) ROCK2KCNH2GPR119MCHR1HRH3
SCHEMBL22254158 1.00 ROCK2 (0.50) ROCK2KCNH2GPR119MCHR1HRH3
SCHEMBL22254166 0.88 ROCK2 (0.51) ROCK2MCHR1DPP4DPP8CYP19A1
SCHEMBL25532196 0.88 ROCK2 (0.51) ROCK2MCHR1DPP4DPP8CYP19A1
SCHEMBL22254159 0.88 ROCK2 (0.51) ROCK2MCHR1DPP4DPP8CYP19A1
SCHEMBL22254165 0.87 ROCK2 (0.50) ROCK2MCHR1HRH3
SCHEMBL22254188 0.87 ROCK2 (0.50) ROCK2MCHR1HRH3
SCHEMBL22248654 0.86 ROCK2 (0.50) ROCK2HRH3
SCHEMBL22254488 0.85 ROCK2 (0.49) ROCK2MCHR1DPP4

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 2850/4885KCNH2 1953/4885GPR119 4663/4885

“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.