SCHEMBL13744950

SCHEMBL13744950

Cc1ccc(OC2CCCC2)nn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
RET P07949 5/20 0.36
LRRK2 Q5S007 3/20 0.36
BRD4 O60885 1/20 0.35
IL1B P01584 1/20 0.35
NLRP3 Q96P20 1/20 0.35
PDE9A O76083 1/20 0.34
ACACB O00763 1/20 0.33
S1PR1 P21453 1/20 0.33
SCD O00767 1/20 0.33
SLC5A2 P31639 1/20 0.32

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
SCHEMBL13750552 0.98 LOX (0.41) LOXLOXL2PDGFRBPDGFRARET
SCHEMBL22663347 0.92 RET (0.38) RETIL1BNLRP3PDE9ASCD
SCHEMBL20413278 0.84 HRH1 (0.44) RETBRD4
SCHEMBL29483133 0.84 HRH1 (0.44) RETBRD4
SCHEMBL13750591 0.84 PDE9A (0.43) RETLRRK2PDE9ASLC5A2
SCHEMBL20412702 0.82 HRH3 (0.43) RETLRRK2IL1BNLRP3
SCHEMBL18291291 0.82 CHRNB2 (0.47)
SCHEMBL20147429 0.79 HRH3 (0.48)
SCHEMBL29571974 0.79 GPR119 (0.40) RETIL1BNLRP3SCD
SCHEMBL20148048 0.79 HRH3 (0.48) RETSCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R LOX 1245/4885LOXL2 1471/4885PDGFRB 740/4885

“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.