SCHEMBL13925908

SCHEMBL13925908

CC(C)CNC(=O)N1CCN(C(=O)C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP2D6 P10635 1/20 0.42
POLB P06746 2/20 0.39
HTT P42858 1/20 0.38
CSNK1E P49674 2/20 0.38
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
NAMPT P43490 1/20 0.36
PIK3CD O00329 1/20 0.35

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
SCHEMBL10441754 0.83 CYP2C19 (0.63) KMT2ACYP2C19KDM4ECYP2D6POLB
SCHEMBL7863949 0.82 KMT2A (0.48) KMT2ACYP2C19KDM4ECYP2D6POLB
SCHEMBL12233194 0.82 KMT2A (0.48) KMT2ACYP2C19KDM4ECYP2D6POLB
SCHEMBL18389980 0.81 HRH3 (0.50) KMT2ACYP2C19KDM4ECYP2D6POLB
SCHEMBL7862569 0.81 KMT2A (0.47) KMT2ACYP2C19KDM4ECYP2D6POLB
SCHEMBL18389973 0.80 KDM4E (0.65) KMT2ACYP2C19KDM4ECYP2D6POLB
SCHEMBL3531319 0.78 KMT2A (0.48) KMT2ACYP2C19KDM4ECYP2D6POLB
SCHEMBL13754285 0.78 HTT (0.65) KMT2AHTT
SCHEMBL22753493 0.77 CHRNB2 (0.50) KMT2APOLBGLATSHRNAMPT
SCHEMBL674660 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 KMT2A 3083/4885CYP2C19 100/4885KDM4E 1839/4885

“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.