SCHEMBL4497905

SCHEMBL4497905

CC(N)CC1CCN(c2ncccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
CYP2C19 P33261 1/20 0.45
DPP4 P27487 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
ADRA1D P25100 4/20 0.41
ADRA1A P35348 4/20 0.41
ADRA1B P35368 4/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GPR119 Q8TDV5 2/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL15133278 0.88 KDM4E (0.49) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL4299041 0.83 KDM4E (0.44) KDM4ECYP2C19DPP4DPP8DPP9
SCHEMBL1146193 0.78 DKK1 (0.55) KDM4ECYP2C19DPP4DPP8DPP9
SCHEMBL10243308 0.78 KDM4E (0.51) KDM4ECYP2C19ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL8127062 0.76 DKK1 (0.53) KDM4ECYP2C19DPP4DPP8DPP9
SCHEMBL4299039 0.75 DPP4 (0.47) KDM4ECYP2C19DPP4DPP8DPP9
SCHEMBL4418417 0.75 KDM4E (0.49) KDM4ECYP2C19DPP4DPP8DPP9
SCHEMBL453937 0.74 KDM4E (0.51) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL460460 0.74 KDM4E (0.56) KDM4ECYP2C19ADRA1DADRA1AADRA1B
SCHEMBL10491580 0.74 KDM4E (0.51) KDM4ECYP2C19ADRA1DADRA1AADRA1B

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 KDM4E 1047/4885CYP2C19 987/4885DPP4 957/4885

“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.