SCHEMBL1794682

SCHEMBL1794682

c1cc2c(cc1OCCCN1CCCCC1)sc1ccc(OCCCN3CCCCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.55
ACHE P22303 3/20 0.52
SIGMAR1 Q99720 2/20 0.52
BCHE P06276 1/20 0.52
MAOB P27338 1/20 0.52
KCNH2 Q12809 1/20 0.51
RAD52 P43351 1/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HRH1 P35367 1/20 0.50
XDH P47989 1/20 0.50

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
SCHEMBL1795162 0.99 HRH3 (0.52) HRH3ACHESIGMAR1BCHEMAOB
SCHEMBL1794511 0.96 HRH3 (0.49) HRH3ACHESIGMAR1BCHEMAOB
SCHEMBL1794048 0.95 HRH3 (0.60) HRH3ACHEKCNH2RAD52KDM4E
SCHEMBL1794719 0.95 HRH3 (0.60) HRH3ACHESIGMAR1BCHEMAOB
SCHEMBL1794752 0.93 TSHR (0.54) HRH3ACHESIGMAR1MAOBKCNH2
Hydrochloric Acid SCHEMBL11747033 0.93 HRH3 (0.59) HRH3ACHESIGMAR1BCHEMAOB
SCHEMBL1795536 0.93 HRH3 (0.58) HRH3ACHESIGMAR1BCHEMAOB
SCHEMBL1797506 0.93 HRH3 (0.58) HRH3ACHEKCNH2RAD52KDM4E
SCHEMBL1793048 0.92 NPC1 (0.52) HRH3SIGMAR1KDM4E
SCHEMBL1796080 0.90 HRH3 (0.54) HRH3ACHESIGMAR1BCHEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP claimed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US claimed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US claimed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 US claimed
US-7951791-B2 e.g. 2,7-bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one; alpha 7 Nicotinic acetylcholine receptors ligands; cognitive disorder, neurodegeneration, and neurodevelopmental disorders ABBOTT LABORATORIES (US) 2011-05-31 US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 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 (3 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-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 HRH3 161/4885ACHE 89/4885SIGMAR1 81/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885ACHE 43/4885SIGMAR1 103/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885ACHE 50/4885SIGMAR1 135/4885

“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.