SCHEMBL22233326

SCHEMBL22233326

Nc1ccn(-c2ccc(CCN3CCC(NC(=O)O)CC3)cc2)c(=O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.47
▸ ROCK2 O75116 3/20 0.44
▸ DRD4 P21917 6/20 0.44
▸ CXCR3 P49682 1/20 0.42
▸ FAAH O00519 1/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ NOS3 P29474 1/20 0.38

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
SCHEMBL22234122 0.96 ROCK2 (0.49) SIGMAR1ROCK2DRD4CXCR3FAAH
SCHEMBL22233627 0.90 ROCK2 (0.49) SIGMAR1ROCK2DRD4L3MBTL1
SCHEMBL30400842 0.86 KCNA3 (0.45) SIGMAR1ROCK2DRD4FAAHLTA4H
SCHEMBL22248949 0.84 SPHK1 (0.47) ROCK2L3MBTL1CHRM2CHRM4NOS3
SCHEMBL22233606 0.84 ALDH1A1 (0.42) SIGMAR1ROCK2L3MBTL1NOS3NOS1
SCHEMBL22254214 0.84 ROCK2 (0.52) SIGMAR1ROCK2L3MBTL1CA12CA1
SCHEMBL30399467 0.83 ROCK2 (0.45) SIGMAR1ROCK2FAAHLTA4HKCNH2
SCHEMBL25532095 0.83 ROCK2 (0.51) SIGMAR1ROCK2L3MBTL1CA12CA1
SCHEMBL22233893 0.82 ROCK2 (0.51) ROCK2DRD4HDAC1
SCHEMBL22254572 0.82 ROCK2 (0.43) ROCK2L3MBTL1NOS3NOS1

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 3 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
EP-3911644-A1 ANTIMICROBIAL COMPOUNDS AND METHODS Curza Global LLC (US) 2021-11-24 — — EP disclosed
WO-2020150385-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 SIGMAR1 1380/4885ROCK2 2850/4885DRD4 259/4885

“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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