SCHEMBL5553899

SCHEMBL5553899

CC1CCCC(C)N1C(C)c1ccc(-c2ccc(-c3cncnc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GRM2 Q14416 1/20 0.36
IDH1 O75874 1/20 0.35
ATM Q13315 1/20 0.34
CYP17A1 P05093 2/20 0.33
P4HB P07237 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PHGDH O43175 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL5549970 0.94 DPP4 (0.38) HRH3DPP4DPP8DPP7GRM2
SCHEMBL5549384 0.83 HRH3 (0.40) HRH3DPP4DPP8DPP7GRM2
SCHEMBL5553979 0.75 P4HB (0.45) HRH3DPP4DPP8DPP7ATM
SCHEMBL5553097 0.75 P4HB (0.45) HRH3DPP4DPP8DPP7ATM
SCHEMBL5553095 0.75 P4HB (0.45) HRH3DPP4DPP8DPP7ATM
SCHEMBL5555099 0.74 P4HB (0.47) HRH3DPP4DPP8DPP7ATM
SCHEMBL5555096 0.70 DPP4 (0.36) DPP4DPP8DPP7GRM2IDH1
SCHEMBL10022367 0.69 ATM (0.50) ATMPHGDHL3MBTL1NPC1CYP3A4
SCHEMBL5549991 0.69 LTA4H (0.43) CYP17A1P4HBKCNH2ALDH1A1CYP3A4
SCHEMBL5549994 0.67 HRH3 (0.41) HRH3GRM2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP disclosed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO disclosed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 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-20050245543-A1 Histamine-3 receptor antagonists HRH3, HRH4, HRH2 HRH3 1/4885DPP4 729/4885DPP8 1542/4885

“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.