SCHEMBL4144841

SCHEMBL4144841

O=C(NC1CCOCC1)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.48
HRH3 Q9Y5N1 3/20 0.48
HTR1A P08908 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KMT2A Q03164 3/20 0.43
WDR5 P61964 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NAMPT P43490 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.41
MAPK14 Q16539 1/20 0.41
MEN1 O00255 1/20 0.41
AXL P30530 1/20 0.41
ETV6 P41212 1/20 0.41
BMPR1B O00238 1/20 0.40

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
SCHEMBL4144854 0.92 HRH3 (0.52) KCNH2HRH3HTR1ASLC6A4HRH1
SCHEMBL4136188 0.83 MAPK14 (0.50) KCNH2HRH3KMT2ANPC1RAB9A
SCHEMBL4132197 0.83 HRH3 (0.53) KCNH2HRH3L3MBTL3L3MBTL1
SCHEMBL4141827 0.81 HRH3 (0.49) KCNH2HRH3KMT2AWDR5MAPK14
SCHEMBL4136102 0.80 FAAH (0.44) L3MBTL3L3MBTL1
SCHEMBL4132414 0.79 HRH3 (0.45) HRH3KMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL4135448 0.79 LMNA (0.45) HRH3KMT2AKDM4ENAMPTNPC1
SCHEMBL4135595 0.78 KMT2A (0.44) KCNH2HRH3HTR1ASLC6A4HRH1
SCHEMBL4135538 0.77 L3MBTL3 (0.53) KMT2AKDM4EMEN1L3MBTL3L3MBTL1
SCHEMBL4135754 0.77 HRH3 (0.42) HRH3GAAL3MBTL3

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
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO claimed
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 KCNH2 657/4885HRH3 1/4885HTR1A 19/4885

“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.