SCHEMBL4486760

SCHEMBL4486760

O=C(O)Cc1oc(-c2ccc(Cl)cc2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGDR Q13258 1/20 0.46
DRD2 P14416 1/20 0.46

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
SCHEMBL13116202 0.90 PTGDR2 (0.51) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL5210892 0.86 RXRA (0.62) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13116220 0.86 PTGDR2 (0.58) PTGDR2KDM4EALDH1A1HPGDMEN1
SCHEMBL5211557 0.84 RXRA (0.56) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL5215419 0.82 RXRA (0.54) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL5207385 0.82 NR4A2 (0.51) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL15987796 0.81 AVPR1B (0.50) KDM4ECYP2C19RXRARXRBRXRG
SCHEMBL13116207 0.81 PTGDR2 (0.46) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL5211980 0.81 RXRA (0.49) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL13116204 0.80 PTGDR2 (0.42) PTGDR2KDM4EALDH1A1CYP1A2CYP2C9

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-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 PTGDR2 924/4885KDM4E 1047/4885ALDH1A1 2159/4885

“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.