SCHEMBL6375587

SCHEMBL6375587

[CH2]CCNC(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTR7 P34969 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 3/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
KMT2A Q03164 2/20 0.36
TGM2 P21980 1/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL8471450 0.93 PNMT (0.44) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6374771 0.90 PNMT (0.48) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7801433 0.89 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5553245 0.88 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6030527 0.88 HTT (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5553226 0.88 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL30272577 0.88 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29541016 0.88 HTT (0.47) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL25194566 0.87 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL230689 0.87 PNMT (0.45) PNMTNPC1RAB9AHTR7HTR2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-20050181988-A1 Echinocandin cyclic peptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US disclosed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 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-20050181988-A1 Echinocandin cyclic peptide derivatives NGLY1, ARG1, ERG28 PNMT 3338/4885NPC1 705/4885RAB9A 2517/4885

“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.