SCHEMBL5225958

SCHEMBL5225958

Cc1nc(-c2ccc(-c3ccc(CN4CCCC4)cc3)cc2)no1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
S1PR1 P21453 2/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
HRH3 Q9Y5N1 7/20 0.56
CYP2D6 P10635 3/20 0.56
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
MAPK1 P28482 1/20 0.56
HRH4 Q9H3N8 1/20 0.56
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KCNH2 Q12809 2/20 0.50
KDM4E B2RXH2 1/20 0.49
GPR119 Q8TDV5 1/20 0.48

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
SCHEMBL5225149 0.99 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AS1PR1POLB
SCHEMBL28957460 0.97 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AS1PR1POLB
SCHEMBL5224880 0.89 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AS1PR1POLB
SCHEMBL5224071 0.87 S1PR1 (0.47) SMN1; SMN2NPC1RAB9AS1PR1POLB
SCHEMBL5223197 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AS1PR1POLB
SCHEMBL7070577 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AS1PR1POLB
SCHEMBL5928064 0.84 KCNH2 (0.46) SMN1; SMN2NPC1RAB9AS1PR1POLB
SCHEMBL5225628 0.84 ALDH1A1 (0.58) SMN1; SMN2NPC1RAB9AS1PR1CYP2D6
SCHEMBL5225059 0.83 RAB9A (0.46) SMN1; SMN2NPC1RAB9AS1PR1POLB
SCHEMBL5225048 0.83 RAB9A (0.46) SMN1; SMN2NPC1RAB9AS1PR1POLB

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 SMN1; SMN2 1870/4885NPC1 616/4885RAB9A 295/4885

“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.