SCHEMBL6046540

SCHEMBL6046540

O=C(O)CCc1ccc2c(c1)CCc1ccccc1N2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
FFAR1 O14842 7/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
KEAP1 Q14145 1/20 0.47
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
FFAR4 Q5NUL3 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL11767335 0.85 MAOA (0.50) ALDH1A1NPC1MAPK13MAPK12MAPK11
SCHEMBL6046510 0.80 MAPT (0.49) ALDH1A1SIRT2NPC1MAPK13MAPK12
SCHEMBL7260939 0.79 DRD2 (0.49) FFAR1KEAP1FFAR4KDM4EMAPT
SCHEMBL4551283 0.79 SMYD3 (0.50) FFAR1MAOB
SCHEMBL30263704 0.77 RXRA (0.57) ALDH1A1FFAR1KEAP1FFAR4
SCHEMBL20680969 0.77 RXRA (0.57) ALDH1A1FFAR1KEAP1FFAR4
SCHEMBL7392253 0.77 KDM4E (0.57) ALDH1A1FFAR1KDM4EGAAMAPT
SCHEMBL1294298 0.77 MAOB (0.50) FFAR1NPC1MAPK13MAPK12MAPK11
SCHEMBL6046439 0.76 SIRT2 (0.48) ALDH1A1CYP1A2SIRT2MAPK1NPC1
SCHEMBL6046472 0.75 SIRT2 (0.63) ALDH1A1SIRT2NPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252679-A1 Preventive and/or trerapeutic drgs for itch KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 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 (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-20060252679-A1 Preventive and/or trerapeutic drgs for itch GPR4, TRPV1, TRPV4 ALDH1A1 2351/4885CYP1A2 4588/4885FFAR1 198/4885

“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.