SCHEMBL19935946

SCHEMBL19935946

CC(C)C(C)CNc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
FDPS P14324 1/20 0.54
PCSK9 Q8NBP7 1/20 0.52
CXCR4 P61073 1/20 0.52
FABP1 P07148 1/20 0.50
FABP6 P51161 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP1A2 P05177 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7448193 0.85 CYP2D6 (0.59) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL5845328 0.81 CYP2D6 (0.65) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL6800071 0.81 CYP2D6 (0.65) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL14198659 0.81 CYP2D6 (0.56) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL1831588 0.81 CYP2D6 (0.56) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL25387117 0.80 PCSK9 (0.58) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL9645509 0.80 CYP2D6 (0.54) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL8237897 0.79 PCSK9 (0.61) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL22241702 0.79 PCSK9 (0.57) CYP2D6FDPSPCSK9CXCR4FABP1
SCHEMBL10830140 0.79 CYP2D6 (0.53) CYP2D6FDPSPCSK9CXCR4FABP1

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 1042/4885FDPS 515/4885PCSK9 1592/4885
US-10947237-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT CYP2D6 1042/4885FDPS 515/4885PCSK9 1592/4885

“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.