SCHEMBL4537588

SCHEMBL4537588

CCNC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.77
KCNH2 Q12809 14/20 0.77
HTR1A P08908 5/20 0.57
SLC6A4 P31645 4/20 0.57
HRH1 P35367 3/20 0.57

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
SCHEMBL3647671 0.96 HRH3 (0.72) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL3804486 0.92 HRH3 (0.67) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4540984 0.90 HRH3 (0.76) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL3652444 0.89 HRH3 (0.79) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL3648123 0.87 HRH3 (1.00) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL3646448 0.87 HRH3 (0.61) HRH3KCNH2HTR1ASLC6A4HRH1
Hydrochloric Acid SCHEMBL3771831 0.86 HRH3 (0.60) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL3646531 0.86 HRH3 (0.61) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4537082 0.86 HRH3 (0.78) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL3655508 0.85 HRH3 (0.75) HRH3KCNH2HTR1ASLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US claimed
US-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 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 (1 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-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885KCNH2 508/4885HTR1A 52/4885

“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.