SCHEMBL3498762

SCHEMBL3498762

FC(F)(F)c1nc2ccccc2n1Cc1ccc(-c2nc(CN3CCCCC3)co2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
POLB P06746 1/20 0.51
HRH3 Q9Y5N1 2/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
ESR1 P03372 1/20 0.46
PGR P06401 1/20 0.46
CYP3A4 P08684 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
ADRA2B P18089 1/20 0.46

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
SCHEMBL3498439 1.00 DRD2 (0.51) DRD2DRD4DRD3POLBHRH3
SCHEMBL3497133 0.84 DRD2 (0.58) DRD2DRD4DRD3HRH3CYP1A2
SCHEMBL3496467 0.84 DRD2 (0.58) DRD2DRD4DRD3HRH3CYP1A2
SCHEMBL3496106 0.84 ADAMTS4 (0.40) DRD2DRD4DRD3HRH3CYP2D6
SCHEMBL3497802 0.84 ADAMTS4 (0.40) DRD2DRD4DRD3HRH3CYP2D6
SCHEMBL3496157 0.83 DRD2 (0.60) DRD2DRD4DRD3HRH3CYP1A2
SCHEMBL3495975 0.78 DRD2 (0.55) DRD2DRD4DRD3HRH3LMNA
SCHEMBL3496245 0.78 DRD2 (0.55) DRD2DRD4DRD3HRH3LMNA
SCHEMBL3188150 0.77 DRD2 (0.56) DRD2DRD4DRD3HRH3LMNA
Hydrochloric Acid SCHEMBL3495879 0.76 DRD2 (0.55) DRD2DRD4DRD3HRH3LMNA

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.