SCHEMBL7887461

SCHEMBL7887461

CN1CCN(c2cncc(-c3ccc4c(c3)nc3n4CCN(C4CCC4)CC3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 5/20 0.40
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
DYRK1A Q13627 3/20 0.38
CLK2 P49760 2/20 0.38
CLK3 P49761 2/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35
TLR4 O00206 1/20 0.35

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
SCHEMBL421119 0.93 DYRK1A (0.40) PIM2PIM1CSNK2A2CSNK2A1DYRK1A
SCHEMBL7885364 0.93 CYP11B1 (0.42) PIM2PIM1DYRK1ACLK2CLK3
SCHEMBL10176906 0.92 CYP11B1 (0.41) PIM2PIM1DYRK1ACLK2CLK3
SCHEMBL16297720 0.89 ROCK2 (0.46) PIM2PIM1DYRK1ACLK2CLK3
SCHEMBL422750 0.88 PIM1 (0.40) PIM2PIM1ALDH1A1MAPTKDM4E
SCHEMBL7886959 0.87 MAPT (0.38) PIM2PIM1ALDH1A1MAPTKDM4E
SCHEMBL421257 0.85 CYP11B1 (0.42) PIM2PIM1DYRK1ACLK2CLK3
SCHEMBL10176910 0.85 MAPT (0.41) PIM2PIM1DYRK1ACLK2CLK3
SCHEMBL7889948 0.82 MAPT (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL7885307 0.81 KDM4E (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2GAA

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 5 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
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 PIM2 3195/4885PIM1 3416/4885CSNK2A2 1760/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 PIM2 3195/4885PIM1 3416/4885CSNK2A2 1760/4885

“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.