SCHEMBL4715074

SCHEMBL4715074

CCOC(=O)c1nn(-c2ccccc2F)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.50
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
PTGER1 P34995 4/20 0.42
BRD4 O60885 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 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
SCHEMBL4718330 0.86 PTGER1 (0.49) NPC1MAPTLMNAPTGER1BRD4
SCHEMBL4716289 0.80 NPC1 (0.68) NPSR1ALDH1A1NPC1RAB9AMAPT
SCHEMBL16578514 0.80 PTGER1 (0.45) NPSR1ALDH1A1NPC1RAB9APTGER1
SCHEMBL11768308 0.80 ALDH1A1 (0.57) NPSR1ALDH1A1NPC1RAB9AMAPT
SCHEMBL21799397 0.79 NPC1 (0.54) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL20751284 0.78 NPC1 (0.43) NPSR1ALDH1A1NPC1RAB9ABRD4
SCHEMBL1809013 0.77 NPSR1 (0.54) NPSR1ALDH1A1NPC1RAB9AMAPT
SCHEMBL16578562 0.76 MEN1 (0.43) ALDH1A1NPC1RAB9A
SCHEMBL4717016 0.75 ADORA3 (0.47) NPC1PTGER1BRD4
SCHEMBL16578779 0.75 NPC1 (0.40) NPSR1ALDH1A1NPC1RAB9APTGER1

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
EP-1483266-B1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2008-02-27 EP disclosed
US-7304072-B2 E.g.,cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxamide; useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases, respiratory and urogenital disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-04 US disclosed
US-20050032820-A1 Novel spiro compounds MSD K.K. (JP) 2005-02-10 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-20050032820-A1 Novel spiro compounds NR3C2, GPR119, NPY2R NPSR1 71/4885ALDH1A1 1517/4885NPC1 1175/4885

“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.