SCHEMBL5223372

SCHEMBL5223372

Cc1nc(-c2ccc(-c3ccc(CN(C)CCc4scnc4C)cc3)cc2)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
S1PR1 P21453 2/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 2/20 0.36
MPO P05164 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL5225893 0.74 HRH3 (0.55) NPC1S1PR1MAOAMAOBAOC3
SCHEMBL5226319 0.74 NPC1 (0.46) NPC1S1PR1MAOAMAOBMPO
SCHEMBL5224485 0.73 NPC1 (0.46) NPC1S1PR1MAOAMAOBAOC3
SCHEMBL5224075 0.70 NPC1 (0.43) NPC1S1PR1MAOAMAOBAOC3
SCHEMBL5223185 0.70 NPC1 (0.45) NPC1S1PR1MAOAMAOBAOC3
SCHEMBL5224688 0.70 NPC1 (0.45) NPC1S1PR1MAOAMAOBAOC3
SCHEMBL5226025 0.70 NPC1 (0.53) NPC1MAOAMAOBLMNAALDH1A1
SCHEMBL5226114 0.69 NPC1 (0.49) NPC1S1PR1MAOAMAOBAOC3
SCHEMBL5222799 0.69 L3MBTL1 (0.49) NPC1S1PR1MAOAMAOBCA12
SCHEMBL5224827 0.68 HTT (0.45) NPC1MAOAMAOBCA12CA1

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 4 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
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 NPC1 616/4885S1PR1 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.