SCHEMBL19935934

SCHEMBL19935934

CC(C)CNC1=NCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.59
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
NISCH Q9Y2I1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18338530 0.79 CYP2D6 (0.46) CYP2D6TP53RAB9AALDH1A1POLB
SCHEMBL10143141 0.76
SCHEMBL19935923 0.75 TP53 (0.48) CYP2D6TP53RAB9AALDH1A1POLB
Hydrochloric Acid SCHEMBL8330154 0.74
SCHEMBL15182171 0.73
SCHEMBL10925690 0.72
SCHEMBL10884472 0.71 CYP2D6 (0.71) CYP2D6TP53RAB9AALDH1A1MEN1
SCHEMBL989088 0.70 CYP2D6 (0.53) CYP2D6TP53RAB9AALDH1A1POLB
SCHEMBL14008070 0.69 CYP2D6 (0.53) CYP2D6TP53RAB9AALDH1A1POLB
SCHEMBL11387762 0.69 CYP2D6 (0.53) CYP2D6TP53RAB9AALDH1A1POLB

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-10947237-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2021-03-16 US disclosed
US-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same MELINTA THERAPEUTICS, INC. 2018-03-08 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-20180065966-A1 Antimicrobial Compounds And Methods Of Making And Using The Same LPO, MPO, CAT CYP2D6 1042/4885TP53 2738/4885RAB9A 2495/4885
US-10947237-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT CYP2D6 1042/4885TP53 2738/4885RAB9A 2495/4885

“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.