SCHEMBL1797506

SCHEMBL1797506

c1cc2c(cc1OCCCN1CCCC1)sc1cc(OCCCN3CCCC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.58
KCNH2 Q12809 2/20 0.54
ACHE P22303 1/20 0.54
RAD52 P43351 1/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
XDH P47989 1/20 0.53
HRH1 P35367 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL1794048 0.98 HRH3 (0.60) HRH3KCNH2ACHERAD52KDM4E
SCHEMBL1792730 0.97 HRH3 (0.54) HRH3KCNH2ACHERAD52KDM4E
SCHEMBL1795162 0.94 HRH3 (0.52) HRH3KCNH2ACHERAD52KDM4E
SCHEMBL1794682 0.93 HRH3 (0.55) HRH3KCNH2ACHERAD52KDM4E
SCHEMBL1793408 0.92 NPC1 (0.56) HRH3KDM4E
SCHEMBL1794511 0.92 HRH3 (0.49) HRH3KCNH2ACHERAD52KDM4E
SCHEMBL1794773 0.92 XDH (0.61) HRH3ACHEKDM4EXDH
SCHEMBL1794037 0.91 TSHR (0.58) HRH3KCNH2ACHEMEN1KMT2A
SCHEMBL1797423 0.90 XDH (0.62) HRH3ACHEXDH
SCHEMBL1795197 0.89 TSHR (0.53) HRH3KCNH2ACHEKDM4EMEN1

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 161/4885KCNH2 535/4885ACHE 89/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885KCNH2 383/4885ACHE 43/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885KCNH2 580/4885ACHE 50/4885

“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.