SCHEMBL2824059

SCHEMBL2824059

O=C(O)CC(=O)CCCc1ccc(OCCCN2CCCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.67
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ACHE P22303 1/20 0.56
RAD52 P43351 1/20 0.56
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL10637 0.82 HRH3 (0.76) HRH3
SCHEMBL2822429 0.81 HRH3 (0.67) HRH3POLBMAPTACHERAD52
SCHEMBL3718784 0.81 HRH3 (0.69) HRH3POLBMAPTSMN1; SMN2NPC1
SCHEMBL2852389 0.81 HRH3 (0.69) HRH3POLBMAPTSMN1; SMN2NPC1
SCHEMBL23928135 0.81 HRH3 (0.68) HRH3POLBMAPTSMN1; SMN2NPC1
SCHEMBL492219 0.80 HRH3 (0.75) HRH3POLBMAPTACHERAD52
SCHEMBL2824056 0.80 HRH3 (0.66) HRH3POLBMAPTACHERAD52
Hydrochloric Acid SCHEMBL2852644 0.80 HRH3 (0.68) HRH3POLBMAPTSMN1; SMN2NPC1
SCHEMBL2821540 0.79 HRH3 (0.86) HRH3ACHERAD52
SCHEMBL23291212 0.79 HRH3 (0.66) HRH3POLBMAPTSMN1; SMN2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007735-B1 2-SUBSTITUTED 4-BENZYLPHTHALAZINONE DERIVATIVES AS HISTAMINE H1 AND H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-10-27 EP disclosed
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists GLAXO GROUP LIMITED (GB) 2009-04-23 US disclosed
US-20080039444-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-02-14 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-20080039444-A1 COMPOUNDS CMA1, MRGPRX2, HRH2 HRH3 16/4885POLB 3167/4885MAPT 1387/4885
US-20090105225-A1 2-Substituted 4-Benzylphthalazinone Derivatives as Histamine H1 and H3 Antagonists HRH2, HRH3, HRH4 HRH3 2/4885POLB 4080/4885MAPT 2806/4885

“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.