SCHEMBL4457997

SCHEMBL4457997

O=C(c1coc(-c2ccc(Cn3ncc4ccccc43)cc2)n1)N1CCCC1.c1ccc2c(c1)cnn2Cc1ccc(-c2nc(CN3CCCC3)co2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD4 P21917 3/20 0.46
DRD3 P35462 3/20 0.46
HRH3 Q9Y5N1 3/20 0.41
RECQL P46063 2/20 0.40
GRIN2B Q13224 1/20 0.39
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 3/20 0.37
MCHR1 Q99705 3/20 0.37
PDE4B Q07343 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
EIF4A3 P38919 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL3496117 0.93 RECQL (0.46) RECQLGRIN2BPDE4BL3MBTL1EIF4A3
SCHEMBL3497148 0.89 DRD2 (0.57) DRD2DRD4DRD3HRH3RECQL
SCHEMBL3497887 0.79 RECQL (0.56) RECQLPDE4B
SCHEMBL3498555 0.77 HRH3 (0.49) HRH3PDE4BEIF4A3POLB
SCHEMBL3498594 0.76 DRD2 (0.47) DRD2DRD4DRD3HRH3HTR2A
SCHEMBL3498719 0.76 DRD2 (0.47) DRD2DRD4DRD3HRH3HTR2A
SCHEMBL3495316 0.76 DRD2 (0.47) DRD2DRD4DRD3HRH3HTR2A
SCHEMBL3497033 0.76 PDE4B (0.44) PDE4BEIF4A3SMN1; SMN2POLB
SCHEMBL3497173 0.74 RECQL (0.46) RECQLPDE4BSMN1; SMN2POLBHSD17B10
SCHEMBL3496126 0.74 RECQL (0.44) DRD2DRD4DRD3HRH3RECQL

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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed

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.