Sugi Predict

Sugi Predict / Compounds / SCHEMBL421191

SCHEMBL421191

SCHEMBL421191

CC(C)N1CCc2nc3ccc(-c4ccc(C#N)cc4)cc3n2CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MAT2A P31153 1/20 0.34
▸ AAK1 Q2M2I8 3/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ BMP2K Q9NSY1 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ PRKDC P78527 1/20 0.33

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
SCHEMBL7888091 0.91 HRH4 (0.40) HRH4HRH3SCN10AGRM2MAP4K4
SCHEMBL422444 0.88 HRH4 (0.35) HRH4HRH3SCN10AGRM2MAP4K4
SCHEMBL419594 0.82 SCN9A (0.42) HRH4HRH3SCN10AGRM2MAP4K4
SCHEMBL420030 0.79 HRH3 (0.42) HRH4HRH3SCN10AGRM2MAP4K4
SCHEMBL421676 0.79 MAPK1 (0.40) HRH4HRH3GRM2CHEK1
SCHEMBL7886200 0.78 USP30 (0.37) HRH4HRH3GRM2
SCHEMBL419641 0.78 HRH4 (0.37) HRH4HRH3SCN10AGRM2MAP4K4
SCHEMBL420920 0.78 HRH3 (0.42) HRH3
SCHEMBL419640 0.78 HRH3 (0.42) HRH3GRM2
SCHEMBL417697 0.78 IRAK4 (0.41) HRH4HRH3GRM2HTR2AHTR2C

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 HRH4 2/4885HRH3 1/4885SCN10A 1039/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HRH4 2/4885HRH3 1/4885SCN10A 1039/4885

“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.