SCHEMBL2300123

SCHEMBL2300123

CC[C@H](C)OC(=O)[C@@H](N)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ FAAH O00519 1/20 0.33
▸ DPP4 P27487 4/20 0.32
▸ TSHR P16473 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ DPP8 Q6V1X1 3/20 0.32
▸ DPP9 Q86TI2 3/20 0.32
▸ DPP7 Q9UHL4 2/20 0.32
▸ FAP Q12884 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ LAP3 P28838 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
SCHEMBL2297294 1.00 SLC7A5 (0.41) SLC7A5MAPTFAAHDPP4TSHR
SCHEMBL27824244 1.00 SLC7A5 (0.41) SLC7A5MAPTFAAHDPP4TSHR
SCHEMBL22891028 1.00 SLC7A5 (0.41) SLC7A5MAPTFAAHDPP4TSHR
SCHEMBL20747649 1.00 SLC7A5 (0.41) SLC7A5MAPTFAAHDPP4TSHR
SCHEMBL27803439 1.00 SLC7A5 (0.41) SLC7A5MAPTFAAHDPP4TSHR
SCHEMBL17539381 1.00 SLC7A5 (0.41) SLC7A5MAPTFAAHDPP4TSHR
SCHEMBL22890984 0.85 DPP4 (0.42) MAPTDPP4DPP8DPP9DPP7
SCHEMBL8751922 0.85 DPP4 (0.42) MAPTDPP4DPP8DPP9DPP7
SCHEMBL8861409 0.83 SLC7A5 (0.43) SLC7A5MAPTLAP3
SCHEMBL19474050 0.83 FAAH (0.41) SLC7A5FAAHDPP4TSHRCHRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS YANG ZHE (US) 2011-12-22 — — US disclosed
US-7989469-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED (US) 2011-08-02 — — US disclosed
EP-2244711-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-11-03 — — EP disclosed
US-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED 2009-10-08 — — US disclosed
WO-2009099594-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2009-08-13 — — WO 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 (2 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-20090253737-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TNNC1, TNNI3, TNNT2 SLC7A5 3700/4885MAPT 299/4885FAAH 2210/4885
US-20110312975-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNC1, TNNI3, TNNT2 SLC7A5 3673/4885MAPT 424/4885FAAH 2520/4885

“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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