SCHEMBL1798739

SCHEMBL1798739

c1cc2c(cc1OCCCN1CCCCC1)[nH]c1ccc(OCCCN3CCCCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.55
PARP1 P09874 1/20 0.54
HRH1 P35367 1/20 0.53
ACHE P22303 3/20 0.52
SIGMAR1 Q99720 2/20 0.52
BCHE P06276 1/20 0.52
MAOB P27338 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KCNH2 Q12809 1/20 0.51
ATM Q13315 1/20 0.51
RAD52 P43351 1/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL1795110 0.99 PARP1 (0.53) HRH3PARP1HRH1ACHESIGMAR1
SCHEMBL1795308 0.96 PARP1 (0.50) HRH3PARP1HRH1ACHESIGMAR1
SCHEMBL1797290 0.95 HRH3 (0.60) HRH3HRH1ACHEL3MBTL1KCNH2
SCHEMBL1793223 0.95 HRH3 (0.60) HRH3PARP1HRH1ACHESIGMAR1
SCHEMBL1796479 0.93 PARP1 (0.57) HRH3PARP1SIGMAR1
SCHEMBL1792471 0.93 HRH3 (0.58) HRH3HRH1ACHEL3MBTL1KCNH2
SCHEMBL1798410 0.93 HRH3 (0.58) HRH3PARP1HRH1ACHESIGMAR1
SCHEMBL1798472 0.92 LTA4H (0.58) HRH3PARP1SIGMAR1
SCHEMBL1798113 0.90 HRH3 (0.54) HRH3PARP1HRH1ACHEL3MBTL1
SCHEMBL1795437 0.90 HRH3 (0.54) HRH3PARP1HRH1ACHESIGMAR1

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 161/4885PARP1 1668/4885HRH1 252/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885PARP1 2033/4885HRH1 488/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885PARP1 2735/4885HRH1 259/4885

“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.