SCHEMBL3660302

SCHEMBL3660302

O=C(O)c1ccc(-c2ccc3c(c2)CCN([C@@H]2CCN(C4CCC4)C2)C3=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.53
KCNH2 Q12809 11/20 0.43
HTR1A P08908 6/20 0.41
SLC6A4 P31645 5/20 0.41
HRH1 P35367 4/20 0.41
TDP2 O95551 1/20 0.40

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
SCHEMBL3660308 1.00 HRH3 (0.53) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4305733 0.91 HRH3 (0.43) HRH3KCNH2HRH1TDP2
SCHEMBL3656956 0.91 HRH3 (0.43) HRH3KCNH2HRH1TDP2
Hydrochloric Acid SCHEMBL4309596 0.90 HRH3 (0.52) HRH3KCNH2HTR1ASLC6A4HRH1
Hydrochloric Acid SCHEMBL4309598 0.90 HRH3 (0.52) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4318726 0.89 HRH3 (0.49) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL3650524 0.89 HRH3 (0.49) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4315124 0.89 HRH3 (0.56) HRH3KCNH2
SCHEMBL4320884 0.89 HRH3 (0.55) HRH3KCNH2HTR1ASLC6A4HRH1
SCHEMBL4320722 0.89 HRH3 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200998-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP disclosed
WO-2009036117-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed
US-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE 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-20090069370-A1 AZACYCLYLISOQUINOLINONE AND ISOINDOLINONE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH1, HRH2 HRH3 4/4885KCNH2 456/4885HTR1A 54/4885

“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.