SCHEMBL4225316

SCHEMBL4225316

O=C(c1ccc(OCCCN2CCCCC2)cc1)N1CCCc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.74
▸ TSHR P16473 5/20 0.72
▸ ALDH1A1 P00352 4/20 0.72
▸ HPGD P15428 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ POLB P06746 1/20 0.72
▸ CACNA1H O95180 2/20 0.61
▸ HRH3 Q9Y5N1 3/20 0.61
▸ LMNA P02545 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ AVPR2 P30518 3/20 0.56
▸ AVPR1A P37288 3/20 0.56
▸ OXTR P30559 2/20 0.56

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 0.94 CACNA1B (0.76) CACNA1BTSHRALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL4228835 0.94 CACNA1B (0.74) CACNA1BTSHRALDH1A1HPGDMAPT
SCHEMBL4486980 0.87 ALDH1A1 (0.66) CACNA1BTSHRALDH1A1HPGDMAPT
SCHEMBL4233071 0.85 ALDH1A1 (0.57) CACNA1BTSHRALDH1A1HPGDMAPT
SCHEMBL4832025 0.84 HRH3 (0.60) CACNA1BTSHRALDH1A1HPGDMAPT
SCHEMBL12453905 0.83 HRH3 (0.66) CACNA1BALDH1A1CACNA1HHRH3LMNA
SCHEMBL4831689 0.83 HRH3 (0.56) CACNA1BTSHRALDH1A1HPGDMAPT
SCHEMBL4225264 0.82 HRH3 (0.72) CACNA1BALDH1A1HPGDCACNA1HHRH3
SCHEMBL4831714 0.82 HRH3 (0.56) CACNA1BTSHRALDH1A1HPGDMAPT
SCHEMBL14311687 0.81 HRH3 (0.58) CACNA1BALDH1A1MAPTPOLBCACNA1H

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 850/4885TSHR 881/4885ALDH1A1 2111/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B CACNA1B 152/4885TSHR 3251/4885ALDH1A1 1104/4885

“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.

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