SCHEMBL3655702

SCHEMBL3655702

O=C1c2ccc(O)cc2CCN1C1CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.53
CHRM2 P08172 4/20 0.47
CHRM3 P20309 4/20 0.47
BCHE P06276 3/20 0.44
BACE1 P56817 3/20 0.44
GRM5 P41594 1/20 0.44
OPRM1 P35372 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
FPR2 P25090 1/20 0.42

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
SCHEMBL3655701 1.00 ACHE (0.53) ACHECHRM2CHRM3BCHEBACE1
SCHEMBL4312397 0.94 CHRM3 (0.49) ACHECHRM2CHRM3GRM5OPRM1
SCHEMBL4312395 0.94 CHRM3 (0.49) ACHECHRM2CHRM3GRM5OPRM1
SCHEMBL3660506 0.93 ACHE (0.55) ACHECHRM2CHRM3BCHEBACE1
SCHEMBL3559826 0.84 ACHE (0.47) ACHEBCHEBACE1OPRM1SIGMAR1
SCHEMBL3559821 0.84 ACHE (0.47) ACHEBCHEBACE1OPRM1SIGMAR1
SCHEMBL3652081 0.84 HTR2A (0.60) ACHECHRM2CHRM3BACE1SIGMAR1
SCHEMBL3652078 0.84 HTR2A (0.60) ACHECHRM2CHRM3BACE1SIGMAR1
SCHEMBL3652397 0.81 HRH3 (0.45) ACHECHRM2CHRM3BACE1SIGMAR1
SCHEMBL3660375 0.81 HRH3 (0.45) ACHECHRM2CHRM3BACE1SIGMAR1

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 ACHE 377/4885CHRM2 283/4885CHRM3 114/4885

“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.