SCHEMBL2511564

SCHEMBL2511564

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC1CCC(C(=O)NC(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MCHR1 Q99705 2/20 0.34
AOC2 O75106 1/20 0.34
F11 P03951 2/20 0.33
DPP4 P27487 1/20 0.32
GRM1 Q13255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2512608 0.88 HPGD (0.38) ACACBHPGDKDM4EALDH1A1GAA
SCHEMBL2512977 0.87 XDH (0.35) MAPK8GRM1
SCHEMBL2514616 0.87 MAP4K4 (0.36) MAPK8MCHR1GRM1
SCHEMBL2511864 0.86 XDH (0.36) MAPK8GRM1
SCHEMBL620456 0.84 DCPS (0.41) ACACBHPGDKDM4EALDH1A1GAA
SCHEMBL2512585 0.83 CHEK2 (0.37) GRM1
SCHEMBL2514940 0.82 SMYD3 (0.39)
SCHEMBL2514003 0.80 CHEK2 (0.40)
SCHEMBL2512599 0.79 SMYD3 (0.37) GRM1
SCHEMBL2511551 0.78 SSTR4 (0.34) ACACBKDM4EALDH1A1

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-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 ACACB 807/4885HPGD 2448/4885KDM4E 1475/4885

“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.