SCHEMBL1794121

SCHEMBL1794121

O=c1c2ccc(OCCN3CCCC3)cc2sc2cc(OCCN3CCCC3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.53
SIGMAR1 Q99720 3/20 0.53
XDH P47989 3/20 0.53
MAOB P27338 2/20 0.53
NPC1 O15118 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 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
SCHEMBL1793980 0.99 HRH3 (0.55) HRH3SIGMAR1XDHMAOBNPC1
SCHEMBL1797605 0.97 HRH3 (0.50) HRH3SIGMAR1XDHMAOBNPC1
SCHEMBL1795696 0.95 SIGMAR1 (0.52) HRH3SIGMAR1XDHMAOBNPC1
SCHEMBL13338876 0.94 XDH (0.57) HRH3XDHMAOBESR1ESR2
SCHEMBL1795067 0.94 SIGMAR1 (0.53) HRH3SIGMAR1XDHMAOBNPC1
SCHEMBL1794773 0.93 XDH (0.61) HRH3SIGMAR1XDHMAOB
SCHEMBL1794266 0.92 SIGMAR1 (0.49) HRH3SIGMAR1XDHMAOBNPC1
SCHEMBL1797423 0.92 XDH (0.62) HRH3SIGMAR1XDHMAOB
SCHEMBL1793408 0.91 NPC1 (0.56) HRH3NPC1TSHRRAB9AESR1
SCHEMBL1795441 0.90 XDH (0.58) HRH3SIGMAR1XDHMAOB

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 161/4885SIGMAR1 81/4885XDH 49/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885SIGMAR1 103/4885XDH 49/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885SIGMAR1 135/4885XDH 242/4885

“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.