SCHEMBL4498037

SCHEMBL4498037

C[C@@H](N)CN1CCN(c2cnccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
SORD Q00796 1/20 0.46
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD4 P21917 2/20 0.44
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL10294622 0.79 SORD (0.51) HRH3SORDKDM4ELMNAL3MBTL1
SCHEMBL4486168 0.79 IGF1R (0.56) KDM4ELMNADRD4DRD2ALDH1A1
SCHEMBL4491439 0.79 IGF1R (0.56) KDM4ELMNADRD4DRD2ALDH1A1
SCHEMBL12826993 0.78 KDM4E (0.48) HRH3SORDKDM4ELMNAL3MBTL1
SCHEMBL9492429 0.78 SORD (0.51) HRH3SORDKDM4ELMNADRD4
SCHEMBL4510842 0.78 SORD (0.49) SORDLMNADRD4ALDH1A1
SCHEMBL11968898 0.77 DRD2 (0.57) HRH3SORDKDM4ELMNAL3MBTL1
SCHEMBL23374607 0.76 HRH3 (0.55) HRH3SORDKDM4EDRD2DRD3
SCHEMBL31140251 0.76 HRH3 (0.55) HRH3SORDKDM4EDRD2DRD3
SCHEMBL3137995 0.76 HRH3 (0.52) HRH3SORDKDM4EDRD4DRD2

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-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
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 HRH3 139/4885SORD 4700/4885KDM4E 1047/4885

“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.