SCHEMBL29978754

SCHEMBL29978754

COc1ccc(N2CCc3ccccc3C2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
LMNA P02545 1/20 0.62
KDM4E B2RXH2 4/20 0.59
DRD1 P21728 5/20 0.56
DRD5 P21918 4/20 0.56
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 1/20 0.53
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
DRD4 P21917 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
ACHE P22303 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL10536109 1.00 MAPT (0.62) MAPTLMNAKDM4EDRD1DRD5
SCHEMBL30109367 0.84 MAPT (0.51) MAPTLMNADRD1DRD5ALDH1A1
SCHEMBL27946081 0.83 MAPT (0.75) MAPTLMNAKDM4EDRD1DRD5
SCHEMBL20861184 0.82 DRD1 (0.52) MAPTLMNAKDM4EDRD1DRD5
SCHEMBL9831285 0.79 KDM4E (0.49) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL28326141 0.79 MAPT (0.53) MAPTLMNAKDM4EDRD1DRD5
SCHEMBL30296979 0.78 DRD1 (0.56) MAPTLMNAKDM4EDRD1DRD5
SCHEMBL27806895 0.78 DRD1 (0.56) MAPTLMNAKDM4EDRD1DRD5
SCHEMBL10534863 0.77 EED (0.58) MAPTLMNADRD1DRD5ALDH1A1
SCHEMBL30297010 0.77 EED (0.58) MAPTLMNADRD1DRD5ALDH1A1

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-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 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-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 MAPT 527/4885LMNA 4735/4885KDM4E 2873/4885

“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.