SCHEMBL4175835

SCHEMBL4175835

COc1ccc([C@@H](C)NC2c3ncccc3CCCC2CCCO)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
GAA P10253 1/20 0.35
CXCR4 P61073 9/20 0.35
NPY1R P25929 6/20 0.35
SLC6A4 P31645 4/20 0.35
KCNH2 Q12809 2/20 0.35
ADORA2A P29274 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL4170089 0.95 KDM1A (0.36) KDM1AGAACXCR4NPY1RSLC6A4
SCHEMBL4181353 0.95 KDM1A (0.36) KDM1AGAACXCR4NPY1RSLC6A4
SCHEMBL5548255 0.95 KDM1A (0.36) KDM1AGAACXCR4NPY1RSLC6A4
SCHEMBL14566706 0.80 KDM1A (0.42) KDM1ACXCR4NPY1RSLC6A4KCNH2
SCHEMBL3083828 0.80 KDM1A (0.42) KDM1ACXCR4NPY1RSLC6A4KCNH2
SCHEMBL4068879 0.80 KDM1A (0.42) KDM1ACXCR4NPY1RSLC6A4KCNH2
SCHEMBL4887081 0.80 KDM1A (0.42) KDM1ACXCR4NPY1RSLC6A4KCNH2
SCHEMBL5547304 0.79 MAPT (0.38) GAANPY1RSLC6A4KCNH2ALDH1A1
SCHEMBL4173715 0.79 MAPT (0.38) GAANPY1RSLC6A4KCNH2ALDH1A1
SCHEMBL13875174 0.73 HDAC1 (0.35) CXCR4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 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-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 KDM1A 3659/4885GAA 466/4885CXCR4 2681/4885

“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.