SCHEMBL21367594

SCHEMBL21367594

CC(C)C1CN(C(=N)N)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.37
CPN1 P15169 2/20 0.37
CPB2 Q96IY4 2/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL6401326 0.84 CPN1 (0.36) F2CPN1CPB2NOS3NOS1
SCHEMBL24138717 0.81 F2 (0.37) F2CPN1CPB2NOS3NOS1
SCHEMBL13804441 0.80 CPN1 (0.55) F2CPN1CPB2
SCHEMBL13804436 0.79 CPN1 (0.49) F2CPN1CPB2
SCHEMBL20756331 0.76 CHRNB2 (0.38) CPN1CPB2
SCHEMBL6394276 0.73 CPN1 (0.44) F2CPN1CPB2
SCHEMBL24292512 0.72 F2 (0.42) F2
SCHEMBL15373046 0.72
SCHEMBL24762370 0.68 F2 (0.44) F2CPN1CPB2
SCHEMBL15369573 0.68 F2 (0.39) F2

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-10815238-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2020-10-27 US disclosed
US-20190284190-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-09-19 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 (2 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-20190284190-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT F2 1772/4885CPN1 1276/4885CPB2 1591/4885
US-10815238-B2 Antimicrobial compounds and methods of making and using the same MPO, LPO, CAT F2 1772/4885CPN1 1276/4885CPB2 1591/4885

“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.