SCHEMBL2514616

SCHEMBL2514616

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC1CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
GRM1 Q13255 3/20 0.35
PARP15 Q460N3 2/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP2 Q9UGN5 1/20 0.34
CCNA2 P20248 2/20 0.34
CDK2 P24941 2/20 0.34
CCNA1 P78396 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
XDH P47989 1/20 0.33
RHEB Q15382 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.32
MAPK8 P45983 1/20 0.32
FFAR2 O15552 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
MCHR1 Q99705 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
SCHEMBL2512977 0.98 XDH (0.35) MAP4K4GRM1PARP15PARP10CCNA2
SCHEMBL2511864 0.97 XDH (0.36) MAP4K4GRM1PARP15PARP10CCNA2
SCHEMBL2512585 0.91 CHEK2 (0.37) GRM1NOS3NOS1
SCHEMBL2514003 0.90 CHEK2 (0.40) CCNA2CDK2CCNA1
SCHEMBL2511564 0.87 ACACB (0.36) GRM1MAPK8MCHR1
SCHEMBL2514940 0.87 SMYD3 (0.39) MAP4K4
SCHEMBL2512191 0.86 DCPS (0.35) MAP4K4CDK2
SCHEMBL2511933 0.84 CHRNB2 (0.38)
SCHEMBL2512599 0.83 SMYD3 (0.37) GRM1TP53
SCHEMBL2514942 0.83 GRM1 (0.36) GRM1TP53HSD17B10THRATHRB

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 MAP4K4 3531/4885GRM1 979/4885PARP15 4364/4885

“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.