SCHEMBL5553122

SCHEMBL5553122

CC(=O)Nc1cccc(-c2ccc(-c3ccc(C(C)N4CCCC4)cc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 5/20 0.51
ADAMTS4 O75173 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
GRIA2 P42262 2/20 0.47
KCNH2 Q12809 1/20 0.47
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
MAP4K4 O95819 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP3A4 P08684 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
PARP1 P09874 1/20 0.45
NQO2 P16083 1/20 0.45
PIP4K2A P48426 1/20 0.45
PIP4K2B P78356 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL12919978 0.81 CYP17A1 (0.60) CYP17A1ADAMTS4CYP11B1CYP11B2GRIA2
SCHEMBL5555136 0.77 DPP4 (0.53) ADAMTS4CYP3A4POLBGAAPARP1
SCHEMBL6445690 0.77 DPP4 (0.53) ADAMTS4CYP3A4POLBGAAPARP1
SCHEMBL5553153 0.76 CYP17A1 (0.55) CYP17A1ADAMTS4CYP11B1CYP11B2GRIA2
SCHEMBL8577619 0.76 SMN1; SMN2 (0.70) CYP17A1CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL5549345 0.75 ACHE (0.49) HSD17B1HSD17B2POLB
SCHEMBL3786463 0.74 NQO2 (0.73) CYP17A1CYP11B1CYP11B2HSD17B1HSD17B2
SCHEMBL13986211 0.74 NQO2 (0.55) CYP17A1ADAMTS4CYP11B1CYP11B2GRIA2
SCHEMBL5549959 0.74 PRKCI (0.45) ADAMTS4
SCHEMBL12999591 0.73 NPC1 (0.69) CYP17A1ADAMTS4CYP11B1CYP11B2HSD17B1

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 CYP17A1 1841/4885ADAMTS4 1297/4885CYP11B1 835/4885

“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.