SCHEMBL4227974

SCHEMBL4227974

CC1(C)CN(C(=O)c2ccc(OCCCN3CCCCC3)cc2)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.59
CACNA1H O95180 1/20 0.58
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HRH3 Q9Y5N1 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
ACHE P22303 2/20 0.51
LMNA P02545 2/20 0.51
THRB P10828 2/20 0.51
KCNH2 Q12809 2/20 0.51
HRH4 Q9H3N8 1/20 0.51
MAOB P27338 1/20 0.51
CYP1A2 P05177 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD4 P21917 1/20 0.51

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
SCHEMBL4229899 0.79 CACNA1B (0.76) CACNA1BCACNA1HKDM4EALDH1A1HRH3
Hydrochloric Acid SCHEMBL4228835 0.78 CACNA1B (0.74) CACNA1BCACNA1HKDM4EALDH1A1HRH3
SCHEMBL4225316 0.78 CACNA1B (0.74) CACNA1BCACNA1HKDM4EALDH1A1HRH3
Hydrochloric Acid SCHEMBL5935356 0.74 HRH3 (0.87) KDM4EALDH1A1HRH3SMN1; SMN2KCNH2
SCHEMBL11937419 0.74 KDM4E (0.95) KDM4EALDH1A1HRH3SMN1; SMN2ACHE
SCHEMBL4223237 0.74 HRH3 (0.70) CACNA1BCACNA1HKDM4EALDH1A1HRH3
SCHEMBL491803 0.73 KDM4E (0.92) KDM4EALDH1A1HRH3ACHELMNA
SCHEMBL4225305 0.73 CACNA1B (0.64) CACNA1BCACNA1HKDM4EALDH1A1HRH3
SCHEMBL4225264 0.73 HRH3 (0.72) CACNA1BCACNA1HKDM4EALDH1A1HRH3
Hydrochloric Acid SCHEMBL4230512 0.73 HRH3 (0.68) CACNA1BCACNA1HKDM4EALDH1A1HRH3

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-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US claimed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US claimed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US claimed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP claimed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP claimed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 WO claimed

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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 CACNA1B 850/4885CACNA1H 756/4885KDM4E 1909/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B CACNA1B 152/4885CACNA1H 526/4885KDM4E 1950/4885

“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.