SCHEMBL6906552

SCHEMBL6906552

CC1CCCCCCCC(N)CCCCCCC1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.37
ACHE P22303 1/20 0.36
EPHX1 P07099 1/20 0.34
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL19882662 1.00 KMT2A (0.37) KMT2ATHRBMEN1ACHEEPHX1
SCHEMBL21771088 1.00 KMT2A (0.37) KMT2ATHRBMEN1ACHEEPHX1
SCHEMBL13980435 1.00 KMT2A (0.37) KMT2ATHRBMEN1ACHEEPHX1
SCHEMBL19301949 1.00 KMT2A (0.37) KMT2ATHRBMEN1ACHEEPHX1
SCHEMBL18616072 1.00 KMT2A (0.37) KMT2ATHRBMEN1ACHEEPHX1
Cyclohexylamine SCHEMBL23883677 1.00 KMT2A (0.37) KMT2ATHRBMEN1ACHEEPHX1
SCHEMBL19301943 1.00 KMT2A (0.37) KMT2ATHRBMEN1ACHEEPHX1
SCHEMBL20836937 0.97 KMT2A (0.35) KMT2ATHRBMEN1ACHEEPHX1
SCHEMBL20983759 0.97 KMT2A (0.35) KMT2ATHRBMEN1ACHEEPHX1
SCHEMBL21090064 0.97 KMT2A (0.35) KMT2ATHRBMEN1ACHEEPHX1

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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 KMT2A 739/4885THRB 2696/4885MEN1 2633/4885

“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.