SCHEMBL2786101

SCHEMBL2786101

C1=C(c2cccc3oc(CCCN4CCCC4)cc23)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
KCNH2 Q12809 1/20 0.40
DRD2 P14416 4/20 0.39
DRD1 P21728 2/20 0.39
DRD3 P35462 2/20 0.39
DRD5 P21918 1/20 0.39
XDH P47989 2/20 0.37
ABCB1 P08183 1/20 0.36
MAOB P27338 4/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR2B P41595 1/20 0.35
ESR1 P03372 1/20 0.35
ESRRG P62508 1/20 0.35

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
SCHEMBL2785130 0.84 DRD2 (0.39) HRH3DRD2DRD1DRD3DRD5
SCHEMBL2786102 0.79 HRH3 (0.46) HRH3KCNH2
SCHEMBL30628624 0.69 DRD2 (0.68) HRH3DRD2DRD1DRD3DRD5
SCHEMBL29175059 0.69 DRD2 (0.68) HRH3DRD2DRD1DRD3DRD5
SCHEMBL29222550 0.67 ELANE (0.44)
SCHEMBL30669428 0.65 PARP1 (0.45) HRH3ABCB1ESR1ESRRG
SCHEMBL29164215 0.65 PARP1 (0.45) HRH3ABCB1ESR1ESRRG
SCHEMBL22422235 0.63 HRH3 (0.50) HRH3DRD2SLC6A4SLC6A3
SCHEMBL2786147 0.63 HRH3 (0.50) HRH3DRD2DRD1DRD3DRD5
SCHEMBL29164232 0.63 PARP1 (0.43) HRH3ABCB1HTR2BESR1ESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 EP claimed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US claimed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US claimed
EP-1370546-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-12-17 EP claimed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 US claimed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 WO claimed
EP-2258694-A1 Amines as histamine-3 receptor ligands and their therapeutic applications Abbott Laboratories (US) 2010-12-08 EP disclosed
US-7538138-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-6969730-B2 Amines as histamine-3 receptor ligands and their therapeutic applications ABBOTT LABORATORIES (US) 2005-11-29 US disclosed
US-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2005-09-01 US disclosed
EP-1370546-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS Abbott Laboratories (US) 2003-12-17 EP disclosed
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications ABBVIE INC. 2002-11-14 US disclosed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 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 (2 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-20050192277-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 1106/4885DRD2 899/4885
US-20020169188-A1 Novel amines as histamine-3 receptor ligands and their therapeutic applications HRH3, HRH4, HRH1 HRH3 1/4885KCNH2 948/4885DRD2 999/4885

“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.