SCHEMBL13438726

SCHEMBL13438726

CCCCOc1ccc(NC[C@H]2CC[C@H](N)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 6/20 0.47
TYRO3 Q06418 6/20 0.47
AXL P30530 5/20 0.47
FLT3 P36888 2/20 0.44
GAS6 Q14393 2/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
DGAT1 O75907 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PABPC1 P11940 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PRKCQ Q04759 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
SCHEMBL11934855 1.00 MERTK (0.47) MERTKTYRO3AXLFLT3GAS6
SCHEMBL13438714 0.83 MAPK1 (0.46) MERTKTYRO3AXLFLT3GAS6
SCHEMBL11934841 0.83 MAPK1 (0.46) MERTKTYRO3AXLFLT3GAS6
SCHEMBL13565593 0.79 MEN1 (0.36) MERTKTYRO3AXLMEN1KMT2A
SCHEMBL13564763 0.79 CNR2 (0.37) MERTKTYRO3AXLMEN1KMT2A
SCHEMBL17089955 0.79 CNR2 (0.37) MERTKTYRO3AXLMEN1KMT2A
SCHEMBL13438727 0.78 MERTK (0.39) MERTKTYRO3AXLFLT3GAS6
SCHEMBL11934854 0.78 MERTK (0.39) MERTKTYRO3AXLFLT3GAS6
SCHEMBL11934851 0.78 THRB (0.46) MERTKTYRO3AXLFLT3GAS6
SCHEMBL13438715 0.78 THRB (0.46) MERTKTYRO3AXLFLT3GAS6

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-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R MERTK 1503/4885TYRO3 152/4885AXL 469/4885

“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.