SCHEMBL5225149

SCHEMBL5225149

Cc1nc(-c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
HRH3 Q9Y5N1 10/20 0.58
HRH4 Q9H3N8 1/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
MAPK1 P28482 1/20 0.58
S1PR1 P21453 2/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 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
SCHEMBL28957460 0.99 SMN1; SMN2 (0.63) SMN1; SMN2NPC1RAB9AHRH3HRH4
SCHEMBL5225958 0.99 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AHRH3HRH4
SCHEMBL5224880 0.88 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHRH3CYP2D6
SCHEMBL5224071 0.86 S1PR1 (0.47) SMN1; SMN2NPC1RAB9AHRH3CYP2D6
SCHEMBL5223197 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2D6CYP2C19
SCHEMBL7070577 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHRH3CYP2D6
SCHEMBL5225059 0.84 RAB9A (0.46) SMN1; SMN2NPC1RAB9AHRH3HRH4
SCHEMBL5225048 0.84 RAB9A (0.46) SMN1; SMN2NPC1RAB9AHRH3HRH4
SCHEMBL5928064 0.83 KCNH2 (0.46) SMN1; SMN2NPC1RAB9AHRH3CYP2D6
SCHEMBL5225628 0.83 ALDH1A1 (0.58) SMN1; SMN2NPC1RAB9ACYP2D6CYP2C19

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.