SCHEMBL5553162

SCHEMBL5553162

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
XDH P47989 1/20 0.37
CYP2A6 P11509 1/20 0.36
HDAC4 P56524 1/20 0.35
PHGDH O43175 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
IDH1 O75874 1/20 0.33
CYP19A1 P11511 1/20 0.33
GRM2 Q14416 1/20 0.33
NEK1 Q96PY6 1/20 0.32
PTGS2 P35354 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ALOX5 P09917 1/20 0.32
PYCR1 P32322 1/20 0.32
ERN1 O75460 1/20 0.32

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
SCHEMBL5549365 0.80 MAPT (0.52) DPP4CYP19A1
SCHEMBL10022367 0.79 ATM (0.50) ATMXDHCYP2A6HDAC4PHGDH
SCHEMBL22152348 0.79 CYP19A1 (0.35) CYP19A1
SCHEMBL14847066 0.76 ATM (0.46) ATMXDHCYP2A6HDAC4PHGDH
SCHEMBL1934462 0.76 ATM (0.46) ATMXDHCYP2A6HDAC4PHGDH
SCHEMBL18762840 0.76 CHRNA7 (0.43) NEK1ALOX5PYCR1
SCHEMBL5549443 0.74 PYCR1 (0.55) CYP2A6ALOX5PYCR1
SCHEMBL6682176 0.73 ATM (0.72) ATMXDHCYP2A6HDAC4GRM2
SCHEMBL27541434 0.72 ATM (0.42) ATMXDHCYP2A6HDAC4PHGDH
SCHEMBL27541431 0.72 PTGS2 (0.47) ATMHDAC4PHGDHDPP4DPP8

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-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
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 ATM 1401/4885XDH 2253/4885CYP2A6 1925/4885

“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.