SCHEMBL4229372

SCHEMBL4229372

CC(C)N1CCCC(COc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.50
PARP15 Q460N3 4/20 0.48
PARP10 Q53GL7 4/20 0.48
PARP2 Q9UGN5 2/20 0.48
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
SRD5A2 P31213 1/20 0.42
RARB P10826 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
GRM3 Q14832 3/20 0.42

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
SCHEMBL4238396 0.85 HRH3 (0.53) PARP15PARP10PARP2MAPK1HRH3
SCHEMBL4236481 0.81 HRH3 (0.54) HRH3
SCHEMBL3581757 0.80 KMT2A (0.55) MAPK1KDM4EALDH1A1
SCHEMBL3578863 0.80 KMT2A (0.55) MAPK1KDM4EALDH1A1
SCHEMBL4236787 0.79 HRH3 (0.54) KDM2BALDH1A1HRH3
SCHEMBL2885506 0.78 PARP10 (0.73) PARP15PARP10PARP2MAPK1
SCHEMBL12420703 0.78 PARP10 (0.73) PARP15PARP10PARP2
SCHEMBL26729863 0.78 CHRM3 (0.48) MAPK1NPSR1ALDH1A1SRD5A2
SCHEMBL12420700 0.77 PARP10 (0.74) PARP15PARP10PARP2ALDH1A1
SCHEMBL1532862 0.77 PARP10 (0.74) PARP15PARP10PARP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
CN-101198604-A NPY antagonists, their preparation and use CEREP (FR) 2008-06-11 CN 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R KDM2B 2057/4885PARP15 2421/4885PARP10 2499/4885

“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.