SCHEMBL22249137

SCHEMBL22249137

NC1CCCN(CCc2ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.38
CCR2 P41597 2/20 0.34
FLT3 P36888 1/20 0.34
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 2/20 0.32
HTR2A P28223 1/20 0.32
ENPP2 Q13822 1/20 0.32
PTPN11 Q06124 2/20 0.32
AOC3 Q16853 1/20 0.32
MCHR1 Q99705 1/20 0.31
POLB P06746 1/20 0.31
DRD3 P35462 1/20 0.31
USP28 Q96RU2 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
SCHEMBL22254465 1.00 ROCK2 (0.38) ROCK2CCR2FLT3DGAT1KCNH2
SCHEMBL25531836 0.95 KCNH2 (0.34) ROCK2DGAT1KCNH2HTR2AENPP2
SCHEMBL22254468 0.95 KCNH2 (0.34) ROCK2DGAT1KCNH2HTR2AENPP2
SCHEMBL22254474 0.95 KCNH2 (0.34) ROCK2DGAT1KCNH2HTR2AENPP2
SCHEMBL22254105 0.93 ROCK2 (0.36) ROCK2CCR2FLT3DGAT1KCNH2
SCHEMBL22254785 0.93 ROCK2 (0.36) ROCK2CCR2FLT3DGAT1KCNH2
SCHEMBL22254790 0.93 ROCK2 (0.36) ROCK2CCR2FLT3DGAT1KCNH2
SCHEMBL22254540 0.92 ROCK2 (0.45) ROCK2CCR2FLT3KCNH2ENPP2
SCHEMBL22249097 0.92 ROCK2 (0.45) ROCK2CCR2FLT3KCNH2ENPP2
SCHEMBL25532012 0.92 ROCK2 (0.45) ROCK2CCR2FLT3KCNH2ENPP2

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 4 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
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO 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 2850/4885CCR2 2254/4885FLT3 2827/4885

“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.