SCHEMBL3653809

SCHEMBL3653809

O=C1c2ccc(Br)cc2CCN1CCCN1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.64
GRM5 P41594 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL3650046 0.99 HRH3 (0.63) HRH3GRM5KCNH2
SCHEMBL3654595 0.91 HRH3 (0.67) HRH3GRM5KCNH2
SCHEMBL30334931 0.82 GRM5 (0.58) HRH3GRM5
SCHEMBL24168658 0.82 GRM5 (0.58) HRH3GRM5
SCHEMBL17511486 0.81 GRM5 (0.57) HRH3GRM5
SCHEMBL1817669 0.80 GRM5 (0.61) HRH3GRM5KCNH2
SCHEMBL13926064 0.79 HRH3 (0.51) HRH3GRM5KCNH2
SCHEMBL8543075 0.79 GRM5 (0.55) HRH3GRM5
SCHEMBL3653608 0.78 HRH3 (1.00) HRH3KCNH2
SCHEMBL8230976 0.78 HRH3 (0.70) HRH3KCNH2

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-2200989-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 EP disclosed
WO-2009036144-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed
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 2/4885GRM5 70/4885KCNH2 508/4885

“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.