SCHEMBL5222513

SCHEMBL5222513

CCN(CCO)Cc1ccc(-c2ccc(-c3noc(C)n3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
PLK1 P53350 1/20 0.43
HTR1A P08908 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
S1PR1 P21453 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 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
SCHEMBL5222240 0.78 CHRNB2 (0.45) HRH3PLK1MAOAMAOBL3MBTL1
SCHEMBL5225893 0.78 HRH3 (0.55) HRH3PLK1MAOAMAOBCA12
SCHEMBL9971549 0.76 S1PR1 (0.54) PLK1MAOAMAOBCA12CA1
SCHEMBL856937 0.76 PLK1 (0.55) PLK1MAOAMAOBCA12CA1
SCHEMBL5225797 0.75 PLK1 (0.41) HRH3PLK1HTR1AMAOAMAOB
SCHEMBL8436680 0.74 MAPT (0.61) PLK1MAOAMAOBCA12CA1
SCHEMBL5312051 0.73 HDAC8 (0.47) HRH3PLK1HTR1AMAOAMAOB
SCHEMBL7883210 0.73 HTR1A (0.44) HRH3HTR1AL3MBTL1LMNATSHR
SCHEMBL704133 0.73 L3MBTL1 (0.53) PLK1MAOAMAOBCA12CA1
SCHEMBL12679260 0.72 HRH3 (0.50) HRH3MAOBLMNAALDH1A1NPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP claimed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO claimed
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 US claimed
EP-1771449-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-04-11 EP disclosed
WO-2006011043-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019998-A1 Histamine-3 receptor antagonist PFIZER INC 2006-01-26 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-20060019998-A1 Histamine-3 receptor antagonist HRH3, HRH4, HRH2 HRH3 1/4885PLK1 1208/4885HTR1A 22/4885

“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.