SCHEMBL17471132

SCHEMBL17471132

CC(=O)NCCCNC(=O)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ TPSAB1 Q15661 4/20 0.37
▸ TPSD1 Q9BZJ3 4/20 0.37
▸ TPSG1 Q9NRR2 4/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL17471822 0.84 LMNA (0.43) NAMPTEPHX2HTTCYP2D6KCNH2
SCHEMBL17471820 0.83 CYP2C19 (0.50) EPHX2HTTCYP2D6KCNH2HRH3
SCHEMBL19884756 0.83 ALDH1A1 (0.47) NAMPTHTTKDM4EMAPK1HIF1A
SCHEMBL17281925 0.80 SMN1; SMN2 (0.49) HTTKDM4EMAPK1HIF1ALMNA
SCHEMBL13225898 0.79 KMT2A (0.62) EPHX2HTTCYP2D6KCNH2HRH3
SCHEMBL17471147 0.78 LMNA (0.52) HTTCYP2D6KDM4EMAPK1HIF1A
SCHEMBL19698170 0.77 TPSAB1 (0.37) NAMPTHTTCYP2D6KCNH2HRH3
SCHEMBL12776480 0.77 POLB (0.58) EPHX2HTTCYP2D6KCNH2HRH3
SCHEMBL17471129 0.77 HDAC2 (0.42) EPHX2HTTCYP2D6KCNH2HRH3
SCHEMBL17471127 0.77 TPSAB1 (0.45) NAMPTCYP2D6KCNH2HRH3TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — US disclosed
US-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — US disclosed
US-20160024080-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-01-28 — — US disclosed
US-20160024080-A1 NEW COMPOUNDS PROXIMAGEN, LLC 2016-01-28 — — 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-20160024080-A1 NEW COMPOUNDS QSOX1, MAOB, MAOA NAMPT 1291/4885EPHX2 1172/4885HTT 2102/4885

“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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