SCHEMBL3497148

SCHEMBL3497148

c1ccc2c(c1)cnn2Cc1ccc(-c2nc(CN3CCCC3)co2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.57
DRD4 P21917 4/20 0.57
DRD3 P35462 4/20 0.57
RECQL P46063 1/20 0.50
HRH3 Q9Y5N1 3/20 0.49
HTR2A P28223 2/20 0.45
HRH1 P35367 2/20 0.45
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
ADRA2A P08913 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
NR1I2 O75469 1/20 0.36
ABCB11 O95342 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
CYP1A2 P05177 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4457997 0.89 DRD2 (0.46) DRD2DRD4DRD3RECQLHRH3
SCHEMBL3498594 0.85 DRD2 (0.47) DRD2DRD4DRD3HRH3HTR2A
SCHEMBL3495316 0.85 DRD2 (0.47) DRD2DRD4DRD3HRH3HTR2A
SCHEMBL3498719 0.85 DRD2 (0.47) DRD2DRD4DRD3HRH3HTR2A
SCHEMBL3496126 0.83 RECQL (0.44) DRD2DRD4DRD3RECQLHRH3
SCHEMBL3496891 0.83 RECQL (0.44) DRD2DRD4DRD3RECQLHRH3
SCHEMBL3496711 0.81 DRD2 (0.58) DRD2DRD4DRD3HRH3HTR2A
Hydrochloric Acid SCHEMBL3498566 0.80 DRD2 (0.57) DRD2DRD4DRD3HRH3HTR2A
SCHEMBL3496117 0.79 RECQL (0.46) RECQLTSHRPDE4DNPC1RAB9A
SCHEMBL3188150 0.77 DRD2 (0.56) DRD2DRD4DRD3HRH3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 DRD2 419/4885DRD4 1020/4885DRD3 224/4885

“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.