SCHEMBL4497227

SCHEMBL4497227

CC(C)Cc1nc(C(=O)O)c2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
GUCY1A1 Q02108 1/20 0.43
GUCY1B1 Q02153 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
LMNA P02545 2/20 0.41
CNR2 P34972 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 1/20 0.39
HTR4 Q13639 4/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL4498121 0.84 MAPT (0.63) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3897724 0.81 GUCY1A1 (0.55) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL31282458 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3909055 0.79 GUCY1A1 (0.62) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL17437846 0.78 HTR4 (0.56) HTR4CYP3A4CYP2D6
SCHEMBL25374632 0.75 HAT1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL14584125 0.74 RORC (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL12480878 0.72 KMT2A (0.47) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2743130 0.72 PTGS2 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4497415 0.72 L3MBTL1 (0.60) MEN1KMT2AALDH1A1KDM4EMAPT

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 MEN1 4495/4885KMT2A 1216/4885ALDH1A1 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.