SCHEMBL2509447

SCHEMBL2509447

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)C1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 9/20 0.38
▸ MAP4K4 O95819 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ PTGER1 P34995 1/20 0.32
▸ ACKR3 P25106 1/20 0.31
▸ PIP5K1C O60331 2/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ PIP5K1B O14986 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ PIP5K1A Q99755 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL2511551 0.89 SSTR4 (0.34) SSTR4ACACBHDAC1HDAC2
SCHEMBL2513079 0.88 SSTR4 (0.34) SSTR4ACACBHDAC1HDAC2
SCHEMBL619075 0.85 SSTR4 (0.40) SSTR4MAP4K4HTR1ADRD2DRD4
SCHEMBL2509463 0.80 MEN1 (0.35) —
SCHEMBL620982 0.80 DHFR (0.40) SSTR4HTR1ADRD2DRD4
SCHEMBL2511002 0.80 NPSR1 (0.38) MAP4K4
SCHEMBL2512542 0.80 MEN1 (0.34) —
SCHEMBL2510159 0.80 MEN1 (0.32) —
SCHEMBL2512534 0.79 KMT2A (0.36) —
SCHEMBL618740 0.78 SSTR4 (0.39) SSTR4HTR1ADRD2DRD4ACKR3

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 SSTR4 156/4885MAP4K4 3531/4885HTR1A 2609/4885

“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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