SCHEMBL5555096

SCHEMBL5555096

CC(c1ccc(-c2ccc(-c3cncnc3)cc2)cc1)N1CCCC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HSD11B1 P28845 3/20 0.34
P4HB P07237 1/20 0.34
BACE1 P56817 2/20 0.33
ATM Q13315 1/20 0.33
CYP17A1 P05093 2/20 0.33
PHGDH O43175 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32
CYP3A4 P08684 2/20 0.31
ECE1 P42892 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 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
SCHEMBL5553979 0.77 P4HB (0.45) DPP4DPP8DPP7P4HBATM
SCHEMBL5553097 0.77 P4HB (0.45) DPP4DPP8DPP7P4HBATM
SCHEMBL5553095 0.77 P4HB (0.45) DPP4DPP8DPP7P4HBATM
SCHEMBL5549999 0.76 DPP4 (0.36) DPP4DPP8DPP7HSD11B1P4HB
SCHEMBL5555099 0.76 P4HB (0.47) DPP4DPP8DPP7P4HBATM
SCHEMBL5549991 0.71 LTA4H (0.43) P4HBCYP17A1CYP3A4
SCHEMBL5549384 0.70 HRH3 (0.40) DPP4DPP8DPP7GRM2
SCHEMBL5553899 0.70 HRH3 (0.38) DPP4DPP8DPP7P4HBATM
SCHEMBL5549970 0.69 DPP4 (0.38) DPP4DPP8DPP7P4HBATM
SCHEMBL10022367 0.69 ATM (0.50) ATMPHGDHCYP3A4CCNA2CDK2

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-1756058-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-02-28 EP claimed
WO-2005105744-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. 2005-11-10 WO claimed
US-20050245543-A1 Histamine-3 receptor antagonists PFIZER INC 2005-11-03 US claimed
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 DPP4 729/4885DPP8 1542/4885DPP7 1136/4885

“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.