SCHEMBL4718330

SCHEMBL4718330

O=C(O)c1nn(-c2ccccc2F)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 7/20 0.49
NPC1 O15118 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.45
BRD4 O60885 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALKBH1 Q13686 3/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL4715074 0.86 NPSR1 (0.50) PTGER1NPC1BRD4LMNAMAPT
SCHEMBL2320249 0.82 ALKBH1 (0.47) ALKBH1
SCHEMBL4717016 0.81 ADORA3 (0.47) PTGER1NPC1BRD4
SCHEMBL25078732 0.80 PTGER1 (0.47) PTGER1NPC1MRGPRX4KMT2A
SCHEMBL4716863 0.76 PTGER1 (0.45) PTGER1NPC1BRD4CA2CA5A
SCHEMBL21799396 0.76 SGMS2 (0.49) MEN1KMT2ALMNA
SCHEMBL6231771 0.76 ALDH1A1 (0.46) NPC1KMT2ALMNAMAPTL3MBTL1
SCHEMBL20751282 0.75 HTR1A (0.44) PTGER1NPC1BRD4MEN1KMT2A
SCHEMBL15004801 0.72 PTGER1 (0.41) PTGER1MRGPRX4KMT2A
SCHEMBL168037 0.72 MRGPRX4 (0.42) PTGER1NPC1MRGPRX4BRD4MEN1

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
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
EP-1483266-A1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-12-08 EP disclosed
WO-2003076443-A1 SPIRO COMPOUNDS WITH NPY ANTAGONISTIC ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-18 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-20050032820-A1 Novel spiro compounds NR3C2, GPR119, NPY2R PTGER1 53/4885NPC1 1175/4885MRGPRX4 743/4885

“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.