SCHEMBL2514940

SCHEMBL2514940

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC1CCN(C(=O)C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.39
DCPS Q96C86 1/20 0.36
NR1H4 Q96RI1 9/20 0.35
CCL5 P13501 1/20 0.35
MAP4K4 O95819 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 1/20 0.34
CGAS Q8N884 1/20 0.34

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
SCHEMBL2512191 0.89 DCPS (0.35) SMYD3DCPSMAP4K4
SCHEMBL2514616 0.87 MAP4K4 (0.36) MAP4K4
SCHEMBL2512977 0.87 XDH (0.35) MAP4K4
SCHEMBL2511864 0.86 XDH (0.36) MAP4K4
SCHEMBL619357 0.85 DCPS (0.49) SMYD3DCPS
SCHEMBL2512585 0.84 CHEK2 (0.37)
SCHEMBL2514185 0.83 DCPS (0.47) DCPS
SCHEMBL2511564 0.82 ACACB (0.36)
SCHEMBL2515143 0.81 CHEK2 (0.46) DCPS
SCHEMBL2514003 0.79 CHEK2 (0.40)

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 289/4885DCPS 1214/4885NR1H4 1580/4885

“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.