SCHEMBL4151106

SCHEMBL4151106

COC(=O)C[C@@H]1c2ccccc2C[C@H]1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
F2 P00734 1/20 0.40
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA1G O43497 1/20 0.36
NOTUM Q6P988 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
SCHEMBL24650853 1.00 EGFR (0.45) EGFRF2HTTHSD17B10MTNR1A
Hydrochloric Acid SCHEMBL4151104 0.99 EGFR (0.44) EGFRF2HTTHSD17B10
SCHEMBL24650854 0.86 F2 (0.43) EGFRF2MTNR1AMTNR1BNOTUM
SCHEMBL3315502 0.86 CYP1A2 (0.45) HSD17B10MEN1CYP1A2TSHRMAPK1
SCHEMBL24650861 0.83 F2 (0.47) F2MTNR1AMTNR1BNOTUM
SCHEMBL24650859 0.82 F2 (0.51) F2NOTUM
SCHEMBL24650907 0.82 SHBG (0.42) EGFR
SCHEMBL24650903 0.82 MIF (0.40) MTNR1AMTNR1B
SCHEMBL24650858 0.81 PYGL (0.42) EGFR
SCHEMBL10734798 0.81 HDAC4 (0.47) EGFRMTNR1AMTNR1BNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20100137397-A1 Chemical Compounds ASTRAZENECA AB (SE) 2010-06-03 US disclosed
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 US disclosed
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 US disclosed
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity BIRCH ALAN MARTIN 2009-05-14 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 (2 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-20100137397-A1 Chemical Compounds PYGL, PYGM, GYS2 EGFR 4015/4885F2 2727/4885HTT 2060/4885
US-20090124682-A1 Indan-Amide Derivatives with Glycogen Phosphorylase Inhibitory Activity PYGL, PYGM, GYS1 EGFR 2948/4885F2 4461/4885HTT 1025/4885

“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.