SCHEMBL12590065

SCHEMBL12590065

CC1CC(=O)N(CCNC(=O)CONC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.34
▸ CACNA1H O95180 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ GFER P55789 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ CD274 Q9NZQ7 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ EPHX1 P07099 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
SCHEMBL21389222 0.85 DRD2 (0.41) AKT1CACNA1HALDH1A1GFERDRD2
SCHEMBL12590064 0.82 HTT (0.37) HTTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL19978666 0.80 HTT (0.39) HTTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL700572 0.80 AKT1 (0.51) AKT1HTTALDH1A1GFERDRD2
SCHEMBL16309339 0.76 MTNR1A (0.46) LMNASMN1; SMN2
SCHEMBL13950300 0.76 SMN1; SMN2 (0.40) HTTALDH1A1SMN1; SMN2EPHX1
SCHEMBL20330624 0.75 HPGD (0.36) HTTALDH1A1LMNASMN1; SMN2
SCHEMBL12799289 0.75 AKT1 (0.38) AKT1HTTALDH1A1GFERDRD2
SCHEMBL18471059 0.75 HDAC6 (0.34) HTTLMNASMN1; SMN2
SCHEMBL15934066 0.73 MTNR1A (0.41) HTTALDH1A1KDM4ESMN1; SMN2

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-8487080-B2 Fluorine-labeled compounds GENERAL ELECTRIC COMPANY (US) 2013-07-16 — — US disclosed
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2011-06-30 — — 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-20110160430-A1 FLUORINE-LABELED COMPOUNDS PFAS, DHFR, PAICS AKT1 4279/4885CACNA1H 4835/4885HTT 1849/4885

“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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