SCHEMBL3496117

SCHEMBL3496117

O=C(c1coc(-c2ccc(Cn3ncc4ccccc43)cc2)n1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.46
PDE4B Q07343 8/20 0.41
EIF4A3 P38919 1/20 0.40
TSHR P16473 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRM2 P08172 1/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KMO O15229 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4D Q08499 1/20 0.37
GRIN2B Q13224 1/20 0.37
PTK2 Q05397 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37

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 0.93 DRD2 (0.46) RECQLPDE4BEIF4A3POLBHSD17B10
SCHEMBL3497887 0.85 RECQL (0.56) RECQLPDE4BKMOALDH1A1
SCHEMBL3498555 0.83 HRH3 (0.49) PDE4BEIF4A3CHRM2POLBPDE4D
SCHEMBL3497033 0.81 PDE4B (0.44) PDE4BEIF4A3POLBPDE4DNPC1
SCHEMBL3497173 0.80 RECQL (0.46) RECQLPDE4BTSHRPOLBHSD17B10
SCHEMBL3497148 0.79 DRD2 (0.57) RECQLTSHRPDE4DNPC1RAB9A
SCHEMBL3497168 0.78 PDE4B (0.43) PDE4BEIF4A3TSHRCHRM2POLB
SCHEMBL3497813 0.76 RECQL (0.53) RECQLPDE4BTSHRNPSR1POLB
Hydrochloric Acid SCHEMBL3496107 0.75 RECQL (0.52) RECQLPDE4BTSHRNPSR1POLB
SCHEMBL6397963 0.73 HRH3 (0.42) PDE4BCHRM2PDE4DNPC1RAB9A

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
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 RECQL 2351/4885PDE4B 1489/4885EIF4A3 1941/4885

“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.