SCHEMBL2514052

SCHEMBL2514052

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OC1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DCPS Q96C86 1/20 0.37
▸ GRM1 Q13255 4/20 0.36
▸ MAPK1 P28482 2/20 0.34
▸ DHFR P00374 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ PDE4D Q08499 3/20 0.32
▸ GRM5 P41594 2/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4C Q08493 2/20 0.32
▸ RIPK1 Q13546 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ BAZ2B Q9UIF8 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
SCHEMBL2514942 0.91 GRM1 (0.36) GRM1DHFRPDE4DPDE4APDE4B
SCHEMBL2511946 0.90 GRM1 (0.35) GRM1DHFRPDE4DPDE4APDE4B
SCHEMBL2511926 0.90 GRM1 (0.35) GRM1DHFRPDE4DPDE4APDE4B
SCHEMBL2510936 0.83 SMYD3 (0.36) GRM1DHFR
SCHEMBL2512608 0.82 HPGD (0.38) GRM1
SCHEMBL2514854 0.81 GRM1 (0.36) GRM1DHFRTP53HSD17B10
SCHEMBL2511075 0.80 MEN1 (0.39) DHFRPDE4ATP53HSD17B10
SCHEMBL618494 0.80 KAT2B (0.43) DCPSMAPK1DHFRPIK3CAPDE4D
SCHEMBL2514616 0.78 MAP4K4 (0.36) GRM1TP53HSD17B10
SCHEMBL2512977 0.78 XDH (0.35) GRM1TP53HSD17B10

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 DCPS 1214/4885GRM1 979/4885MAPK1 4532/4885

“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.

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