SCHEMBL420264

SCHEMBL420264

c1ccc(C2CCN(c3ccc4nc5n(c4c3)CCN(C3CCC3)CC5)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.44
IP6K1 Q92551 1/20 0.42
GRIN2B Q13224 2/20 0.40
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV6 Q9H1D0 2/20 0.37
HDAC4 P56524 1/20 0.37
KHK P50053 2/20 0.36
C1S P09871 1/20 0.36

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
SCHEMBL422771 0.93 SLC18A3 (0.45) SLC18A3IP6K1GRIN2BDRD3DRD2
SCHEMBL421387 0.88 ALDH1A1 (0.40) GRIN2BDRD3DRD2HTR6CYP2D6
SCHEMBL421170 0.87 ALDH1A1 (0.42) DRD3DRD2HTR6CYP2D6CYP2C19
SCHEMBL421939 0.83 OPRM1 (0.41) HRH3KHK
SCHEMBL422484 0.83 KDM4E (0.42) DRD3DRD2HTR6HRH3KHK
SCHEMBL420850 0.82 HRH3 (0.39) GRIN2BDRD3DRD2HTR6HRH3
SCHEMBL419554 0.82 HRH3 (0.44) HRH3
SCHEMBL421357 0.82 RAB9A (0.48) GRIN2BDRD3DRD2HTR6CYP2D6
SCHEMBL3792851 0.82 TMEM97 (0.40) DRD3DRD2HTR6CYP2D6CYP2C19
SCHEMBL420265 0.81 IP6K1 (0.41) IP6K1DRD3DRD2C1S

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 SLC18A3 19/4885IP6K1 670/4885GRIN2B 57/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SLC18A3 19/4885IP6K1 670/4885GRIN2B 57/4885

“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.