SCHEMBL2512977

SCHEMBL2512977

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.35
GRM1 Q13255 1/20 0.35
RHEB Q15382 1/20 0.35
PARP15 Q460N3 2/20 0.34
PARP10 Q53GL7 2/20 0.34
MAP4K4 O95819 1/20 0.34
MAPK8 P45983 1/20 0.34
CCNA2 P20248 4/20 0.34
CDK2 P24941 4/20 0.34
CCNA1 P78396 2/20 0.34
PTGS1 P23219 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL2511864 0.99 XDH (0.36) XDHGRM1RHEBPARP15PARP10
SCHEMBL2514616 0.98 MAP4K4 (0.36) XDHGRM1RHEBPARP15PARP10
SCHEMBL2512585 0.91 CHEK2 (0.37) GRM1
SCHEMBL2514003 0.90 CHEK2 (0.40) CCNA2CDK2CCNA1
SCHEMBL2511564 0.87 ACACB (0.36) GRM1MAPK8
SCHEMBL2514940 0.87 SMYD3 (0.39) MAP4K4
SCHEMBL2511933 0.86 CHRNB2 (0.38)
SCHEMBL2512191 0.86 DCPS (0.35) MAP4K4CDK2GABRPGABRDGABRA1
SCHEMBL2514942 0.85 GRM1 (0.36) GRM1THRATHRBGABRPGABRD
SCHEMBL2511946 0.84 GRM1 (0.35) GRM1THRATHRBGABRPGABRD

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 XDH 1819/4885GRM1 979/4885RHEB 3777/4885

“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.