SCHEMBL1795110

SCHEMBL1795110

c1cc2c(cc1OCCCN1CCCC1)[nH]c1ccc(OCCCN3CCCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.53
HRH3 Q9Y5N1 9/20 0.52
SIGMAR1 Q99720 3/20 0.51
HRH1 P35367 1/20 0.51
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.50
LTA4H P09960 1/20 0.50
MAOB P27338 1/20 0.50
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
XDH P47989 1/20 0.49
HTR3A P46098 1/20 0.49

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
SCHEMBL1798739 0.99 HRH3 (0.55) PARP1HRH3SIGMAR1HRH1ACHE
SCHEMBL1795308 0.97 PARP1 (0.50) PARP1HRH3SIGMAR1HRH1ACHE
SCHEMBL1798410 0.94 HRH3 (0.58) PARP1HRH3SIGMAR1HRH1ACHE
SCHEMBL1792471 0.94 HRH3 (0.58) HRH3HRH1ACHEXDH
SCHEMBL1798472 0.93 LTA4H (0.58) PARP1HRH3SIGMAR1LTA4H
SCHEMBL1793223 0.93 HRH3 (0.60) PARP1HRH3SIGMAR1HRH1ACHE
SCHEMBL1797290 0.93 HRH3 (0.60) HRH3HRH1ACHE
SCHEMBL1796479 0.92 PARP1 (0.57) PARP1HRH3SIGMAR1LTA4H
SCHEMBL1798113 0.92 HRH3 (0.54) PARP1HRH3HRH1ACHEXDH
SCHEMBL1795437 0.92 HRH3 (0.54) PARP1HRH3SIGMAR1HRH1ACHE

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 PARP1 1668/4885HRH3 161/4885SIGMAR1 81/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PARP1 2033/4885HRH3 321/4885SIGMAR1 103/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PARP1 2735/4885HRH3 199/4885SIGMAR1 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.