SCHEMBL2510936

SCHEMBL2510936

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OC1CCC(NC(=O)C(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 3/20 0.36
▸ TSHR P16473 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ GRM1 Q13255 4/20 0.33
▸ CHRM4 P08173 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ MAPK10 P53779 1/20 0.31
▸ EPHX2 P34913 1/20 0.30
▸ LDHA P00338 1/20 0.30
▸ SHMT2 P34897 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ DHFR P00374 1/20 0.30
▸ BTK Q06187 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
SCHEMBL2514942 0.85 GRM1 (0.36) GRM1SHMT2DHFR
SCHEMBL2512608 0.85 HPGD (0.38) MCHR1GRM1MAPK8MAPK9MAPK10
SCHEMBL2511926 0.85 GRM1 (0.35) GRM1SHMT2DHFR
SCHEMBL2511946 0.85 GRM1 (0.35) GRM1SHMT2DHFR
SCHEMBL2512646 0.84 TSHR (0.32) SMYD3TSHR
SCHEMBL10260443 0.83 SMYD3 (0.39) SMYD3EPHX2LDHANPC1BTK
SCHEMBL621055 0.83 SMYD3 (0.39) SMYD3EPHX2LDHANPC1BTK
SCHEMBL2514052 0.83 DCPS (0.37) GRM1DHFR
SCHEMBL17740919 0.78 SMYD3 (0.39) SMYD3EPHX2LDHA
SCHEMBL618842 0.78 TSHR (0.39) SMYD3TSHREPHX2LDHA

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 SMYD3 289/4885TSHR 2995/4885MCHR1 1746/4885

“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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