SCHEMBL8420465

SCHEMBL8420465

Cc1ccc(Oc2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.59
KCNH2 Q12809 3/20 0.53
HTR1A P08908 1/20 0.53
GRM5 P41594 1/20 0.52

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
SCHEMBL8227864 0.86 HRH3 (0.67) HRH3KCNH2HTR1AGRM5
SCHEMBL3653090 0.85 HRH3 (0.64) HRH3KCNH2HTR1A
SCHEMBL3654447 0.85 HRH3 (0.74) HRH3KCNH2GRM5
SCHEMBL3646531 0.85 HRH3 (0.61) HRH3KCNH2HTR1A
SCHEMBL3646448 0.85 HRH3 (0.61) HRH3KCNH2HTR1A
SCHEMBL3655508 0.84 HRH3 (0.75) HRH3KCNH2HTR1A
Hydrochloric Acid SCHEMBL4535011 0.84 HRH3 (0.62) HRH3KCNH2HTR1A
SCHEMBL4540984 0.84 HRH3 (0.76) HRH3KCNH2HTR1A
SCHEMBL3650636 0.84 HRH3 (0.76) HRH3KCNH2HTR1A
Hydrochloric Acid SCHEMBL3771831 0.84 HRH3 (0.60) HRH3KCNH2HTR1A

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 1 patent. 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 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.