SCHEMBL2517533

SCHEMBL2517533

CCCNC(=O)C(C)(C)COc1c(C)ccc2nc(CC)c(C(=O)O)c(N)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTR1A P08908 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SSTR4 P31391 1/20 0.32
▸ FABP3 P05413 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31

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
SCHEMBL2508423 0.84 MEN1 (0.33) MEN1KMT2AALDH1A1HTR1ADRD2
SCHEMBL621518 0.84 HTR1A (0.35) MEN1KMT2AALDH1A1CYP2C9CYP1A2
SCHEMBL618124 0.77 CYP1A2 (0.40) MEN1KMT2AALDH1A1CYP2C9CYP1A2
SCHEMBL621517 0.76 MEN1 (0.38) MEN1KMT2AALDH1A1CYP2C9CYP1A2
SCHEMBL17057292 0.75 CYP1A2 (0.34) MEN1KMT2AALDH1A1CYP2C9CYP1A2
SCHEMBL2508408 0.73 NUDT1 (0.33) MEN1KMT2A
SCHEMBL2511856 0.71 CHRM4 (0.35) MEN1KMT2AALDH1A1CYP2C9CYP1A2
SCHEMBL21281480 0.70 HTR1A (0.33) CYP1A2MAPTHPGDHTR1ADRD2
SCHEMBL619988 0.70 CYP1A2 (0.41) MEN1KMT2AALDH1A1CYP2C9CYP1A2
SCHEMBL2513257 0.70 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTNPC1

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 MEN1 784/4885KMT2A 1673/4885ALDH1A1 664/4885

“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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