SCHEMBL4173715

SCHEMBL4173715

CCOC(=O)CC[C@@H]1CCc2cccnc2[C@@H]1N[C@H](C)c1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KLK7 P49862 3/20 0.38
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CHRM4 P08173 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
NPY1R P25929 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2B Q13224 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
PDE2A O00408 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5547304 1.00 MAPT (0.38) MAPTKLK7ALOX15ALDH1A1CHRM4
SCHEMBL4178166 1.00 MAPT (0.38) MAPTKLK7ALOX15ALDH1A1CHRM4
SCHEMBL4181353 0.84 KDM1A (0.36) MAPTGAANPY1RSLC6A4KCNH2
SCHEMBL5548255 0.84 KDM1A (0.36) MAPTGAANPY1RSLC6A4KCNH2
SCHEMBL4175835 0.79 KDM1A (0.35) ALDH1A1GAANPY1RSLC6A4KCNH2
SCHEMBL4068879 0.70 KDM1A (0.42) ALDH1A1NPY1RSLC6A4KCNH2MEN1
SCHEMBL4887081 0.70 KDM1A (0.42) ALDH1A1NPY1RSLC6A4KCNH2MEN1
SCHEMBL3083828 0.70 KDM1A (0.42) ALDH1A1NPY1RSLC6A4KCNH2MEN1
SCHEMBL14566706 0.70 KDM1A (0.42) ALDH1A1NPY1RSLC6A4KCNH2MEN1
SCHEMBL22578210 0.66 CXCR4 (0.40) ALDH1A1CHRM4MEN1KMT2A

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 MAPT 923/4885KLK7 409/4885ALOX15 456/4885

“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.