SCHEMBL420265

SCHEMBL420265

C1=CC(N2CCc3nc4ccc(N5CCC(c6ccccc6)CC5)cc4n3CC2)=C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.41
C1S P09871 1/20 0.35
BRD4 O60885 11/20 0.34
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GRM2 Q14416 1/20 0.33
DHFR P00374 1/20 0.33
KDM6B O15054 1/20 0.32

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
SCHEMBL422485 0.82 KDM4E (0.44) BRD4MAPK1RAB9A
SCHEMBL421388 0.82 ALDH1A1 (0.35) RAB9ADRD2DRD3
SCHEMBL421171 0.82 ALDH1A1 (0.37) RAB9ADRD2DRD3
SCHEMBL421940 0.81 HTR3E (0.37)
SCHEMBL418679 0.81 BRD4 (0.35) BRD4DRD2DRD3
SCHEMBL420264 0.81 SLC18A3 (0.44) IP6K1C1SDRD2DRD3
SCHEMBL3792855 0.81 TSHR (0.36) MAPK1RAB9A
SCHEMBL419519 0.79 KHK (0.39) BRD4RAB9A
SCHEMBL420851 0.79 AOC3 (0.33) BRD4MAPK1RAB9A
SCHEMBL418407 0.77 LRRK2 (0.39) MAPK1RAB9A

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 IP6K1 670/4885C1S 1853/4885BRD4 529/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 IP6K1 670/4885C1S 1853/4885BRD4 529/4885

“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.