SCHEMBL421100

SCHEMBL421100

O=C(c1cnccn1)N1CCN(c2ccc3c(c2)nc2n3CCN(C3CCC3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
GBA1 P04062 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HRH3 Q9Y5N1 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 4/20 0.40
KDM4E B2RXH2 3/20 0.40
USP2 O75604 3/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL421425 0.85 MAPT (0.40) SMN1; SMN2HRH3ALDH1A1MAPTCYP3A4
SCHEMBL421706 0.84 KDM4E (0.41) SMN1; SMN2HRH3ALDH1A1MAPTCYP3A4
SCHEMBL418899 0.84 MAPT (0.45) SMN1; SMN2HRH3ALDH1A1MAPTCYP3A4
SCHEMBL422737 0.83 MAPT (0.43) SMN1; SMN2HRH3ALDH1A1MAPTCYP3A4
SCHEMBL417889 0.82 MAPT (0.50) SMN1; SMN2HRH3ALDH1A1MAPTCYP3A4
SCHEMBL7887720 0.82 MAPT (0.48) SMN1; SMN2HRH3ALDH1A1MAPTCYP3A4
SCHEMBL10176749 0.81 KDM2B (0.47) GBA1SMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL7879805 0.81 MAPT (0.50) SMN1; SMN2HRH3ALDH1A1MAPTCYP3A4
SCHEMBL7891109 0.80 MAPT (0.52) SMN1; SMN2HRH3ALDH1A1MAPTCYP3A4
SCHEMBL420445 0.79 MGLL (0.47) NAMPTSMN1; SMN2HRH3ALDH1A1MAPT

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 13 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-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
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
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 NAMPT 2534/4885GBA1 2706/4885SMN1; SMN2 991/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 NAMPT 2534/4885GBA1 2706/4885SMN1; SMN2 991/4885

“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.