Sugi Predict

Sugi Predict / Compounds / SCHEMBL422573

SCHEMBL422573

SCHEMBL422573

CN1CCN(c2cnc(-c3ccc4nc5n(c4c3)CCN(C3CCC3)CC5)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ HRH4 Q9H3N8 4/20 0.35
▸ CHRNA7 P36544 5/20 0.35
▸ KCNH2 Q12809 4/20 0.35
▸ RET P07949 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ MAT2A P31153 2/20 0.33
▸ HTR3A P46098 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL7886959 0.93 MAPT (0.38) TLR4TLR9TLR8TLR7PIM1
SCHEMBL419959 0.93 TLR4 (0.35) TLR4TLR9TLR8TLR7PIM1
SCHEMBL421119 0.87 DYRK1A (0.40) TLR4TLR9TLR8TLR7PIM1
SCHEMBL7886914 0.85 MAPT (0.40) TLR4TLR9TLR8TLR7PIM1
SCHEMBL10176909 0.84 MAPT (0.41) TLR4TLR9TLR8TLR7KCNH2
SCHEMBL418979 0.82 OGFRL1 (0.41) TLR4TLR9TLR8TLR7KCNH2
SCHEMBL16297717 0.82 MAPT (0.38) PIM1PIM3PIM2CHRNA7KCNH2
SCHEMBL422574 0.81 HRH4 (0.36) PIM1PIM3PIM2HRH4CHRNA7
SCHEMBL422484 0.80 KDM4E (0.42) TLR4TLR9TLR8TLR7HTR3A
SCHEMBL7887461 0.80 PIM2 (0.40) TLR4TLR9TLR8TLR7PIM1

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
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 — — US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 — — US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 — — EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 — — US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 — — WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 — — 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 (2 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-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 TLR4 1334/4885TLR9 1037/4885TLR8 1434/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 TLR4 1334/4885TLR9 1037/4885TLR8 1434/4885

“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.