SCHEMBL3498756

SCHEMBL3498756

c1ccc2c(c1)nc(-c1ccc(-c3nc(CN4CCCC4)co3)cc1)n2CCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 6/20 0.44
DRD3 P35462 5/20 0.44
DRD4 P21917 2/20 0.44
BRD4 O60885 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
ESR1 P03372 1/20 0.42
PTGS2 P35354 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
MCHR1 Q99705 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL3496085 0.88 PRKACA (0.48) HRH3MEN1KMT2ADRD2DRD3
SCHEMBL3497133 0.83 DRD2 (0.58) HRH3MEN1KMT2ADRD2DRD3
SCHEMBL3496467 0.83 DRD2 (0.58) HRH3MEN1KMT2ADRD2DRD3
SCHEMBL3498561 0.82 ALDH1A1 (0.55) HRH3MEN1KMT2ADRD2DRD3
SCHEMBL3496157 0.82 DRD2 (0.60) HRH3MEN1KMT2ADRD2DRD3
SCHEMBL3497458 0.81 ALDH1A1 (0.54) HRH3MEN1KMT2ADRD2DRD3
SCHEMBL3496135 0.80 OGFRL1 (0.47) DRD2DRD3BRD4BAZ2ARXRA
SCHEMBL13164978 0.78 BRD4 (0.45) DRD2DRD3BRD4BAZ2ARXRA
SCHEMBL3498762 0.76 DRD2 (0.51) HRH3MEN1KMT2ADRD2DRD3
SCHEMBL3498439 0.76 DRD2 (0.51) HRH3MEN1KMT2ADRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 HRH3 2/4885MEN1 1771/4885KMT2A 1090/4885

“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.