SCHEMBL422750

SCHEMBL422750

CN1CCN(c2cccc(-c3ccc4c(c3)nc3n4CCN(C4CCC4)CC3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.40
PIM2 Q9P1W9 3/20 0.40
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HRH3 Q9Y5N1 3/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
HTR3E A5X5Y0 3/20 0.36
HTR3B O95264 3/20 0.36
HTR3A P46098 3/20 0.36
HTR3D Q70Z44 3/20 0.36
HTR3C Q8WXA8 3/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL421275 0.92 MAPT (0.40) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL10176936 0.92 MAPT (0.42) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL16297849 0.89 PIM1 (0.40) PIM1PIM2MAPTALDH1A1KDM4E
SCHEMBL7887461 0.88 PIM2 (0.40) PIM1PIM2MAPTALDH1A1KDM4E
SCHEMBL7886959 0.86 MAPT (0.38) PIM1PIM2MAPTALDH1A1KDM4E
SCHEMBL10176937 0.84 MAPT (0.42) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL7885307 0.82 KDM4E (0.44) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL421138 0.82 HRH3 (0.44) MAPTALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL421119 0.81 DYRK1A (0.40) PIM1PIM2MAPTALDH1A1KDM4E
SCHEMBL7885364 0.80 CYP11B1 (0.42) PIM1PIM2MAPTALDH1A1KDM4E

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 10 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-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-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
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
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 PIM1 3416/4885PIM2 3195/4885MAPT 738/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 PIM1 3416/4885PIM2 3195/4885MAPT 738/4885

“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.