SCHEMBL17471820

SCHEMBL17471820

CCCNC(=O)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 2/20 0.50
▸ KMT2A Q03164 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL13225898 0.86 KMT2A (0.62) KMT2ALMNAMEN1HTTCYP2D6
SCHEMBL17471132 0.83 NAMPT (0.43) CYP2C19KMT2ALMNAHTTCYP2D6
SCHEMBL17471822 0.81 LMNA (0.43) KMT2ALMNAHTTCYP2D6KCNH2
SCHEMBL13225931 0.81 KMT2A (0.55) KMT2ALMNAHTTCYP2D6KCNH2
SCHEMBL16418435 0.81 CYP2C19 (0.48) CYP2C19KMT2ALMNAMEN1CYP2C9
SCHEMBL17471129 0.80 HDAC2 (0.42) KMT2AMEN1HTTCYP2D6KCNH2
SCHEMBL17471127 0.80 TPSAB1 (0.45) CYP2D6KCNH2HRH3
SCHEMBL1564353 0.79 KMT2A (0.55) CYP2C19KMT2ALMNAMEN1CYP2C9
SCHEMBL1564349 0.79 CYP2C19 (0.56) CYP2C19KMT2ALMNAMEN1CYP2C9
SCHEMBL14713195 0.79 CYP2C19 (0.49) CYP2C19KMT2ALMNAMEN1CYP2C9

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-9580415-B2 Compounds PROXIMAGEN LIMITED (GB) 2017-02-28 — — 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 CYP2C19 108/4885KMT2A 4162/4885LMNA 1714/4885

“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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