SCHEMBL5225893

SCHEMBL5225893

Cc1nc(-c2ccc(-c3ccc(CN(C)C)cc3)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.55
S1PR1 P21453 3/20 0.53
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
TAAR1 Q96RJ0 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PLK1 P53350 1/20 0.48
NPC1 O15118 2/20 0.44
LMNA P02545 3/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MPO P05164 1/20 0.43
AOC3 Q16853 2/20 0.41

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
SCHEMBL13415301 0.80 L3MBTL1 (0.69) MAOAMAOBCA12CA1CA2
SCHEMBL8436680 0.80 MAPT (0.61) S1PR1MAOAMAOBCA12CA1
SCHEMBL5226319 0.79 NPC1 (0.46) S1PR1MAOAMAOBCA12CA1
SCHEMBL15307622 0.78 L3MBTL1 (0.58) HRH3MAOAMAOBCA12CA1
SCHEMBL4118890 0.78 L3MBTL1 (0.53) MAOAMAOBCA12CA1CA2
SCHEMBL704133 0.78 L3MBTL1 (0.53) MAOAMAOBCA12CA1CA2
SCHEMBL856937 0.78 PLK1 (0.55) S1PR1MAOAMAOBCA12CA1
SCHEMBL5568124 0.78 PLK1 (0.52) MAOAMAOBCA12CA1CA2
SCHEMBL5222513 0.78 HRH3 (0.45) HRH3S1PR1MAOAMAOBCA12
SCHEMBL5224075 0.78 NPC1 (0.43) S1PR1MAOAMAOBCA12CA1

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 1/4885S1PR1 453/4885MAOA 252/4885

“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.