SCHEMBL3496245

SCHEMBL3496245

c1ccc2c(c1)ncn2Cc1ccc(-c2nc(CN3CCCCC3)co2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
DRD4 P21917 3/20 0.55
DRD3 P35462 3/20 0.55
CYP11B1 P15538 5/20 0.53
CYP11B2 P19099 5/20 0.53
HRH3 Q9Y5N1 5/20 0.53
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 1/20 0.48
TNF P01375 1/20 0.48
LMNA P02545 3/20 0.47
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL3495975 1.00 DRD2 (0.55) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3188150 0.99 DRD2 (0.56) DRD2DRD4DRD3CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3495879 0.98 DRD2 (0.55) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3496078 0.91 DRD2 (0.54) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3496503 0.90 DRD2 (0.56) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3496620 0.88 DRD2 (0.51) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3496274 0.87 CYP11B1 (0.46) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3497351 0.86 HRH3 (0.49) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3497062 0.86 HRH3 (0.49) DRD2DRD4DRD3CYP11B1CYP11B2
SCHEMBL3499222 0.85 CYP11B1 (0.48) DRD2DRD4DRD3CYP11B1CYP11B2

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
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP claimed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO claimed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US claimed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP 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

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.