SCHEMBL1795696

SCHEMBL1795696

O=c1c2ccc(OCCN3CCCC3)cc2sc2ccc(OCCN3CCCC3)cc12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.52
HRH3 Q9Y5N1 5/20 0.49
XDH P47989 3/20 0.49
MAOB P27338 1/20 0.49
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL1795067 0.99 SIGMAR1 (0.53) SIGMAR1HRH3XDHMAOBESR1
SCHEMBL1794266 0.97 SIGMAR1 (0.49) SIGMAR1HRH3XDHMAOBESR1
SCHEMBL1794121 0.95 HRH3 (0.53) SIGMAR1HRH3XDHMAOBESR1
SCHEMBL1794627 0.95 SIGMAR1 (0.56) SIGMAR1HRH3XDHMAOBESR1
SCHEMBL1795203 0.94 XDH (0.57) SIGMAR1HRH3XDHMAOB
SCHEMBL1793512 0.94 SIGMAR1 (0.57) SIGMAR1HRH3MAOBESR1ESR2
SCHEMBL1793980 0.94 HRH3 (0.55) SIGMAR1HRH3XDHMAOBESR1
SCHEMBL1794306 0.93 XDH (0.57) SIGMAR1HRH3XDHMAOB
SCHEMBL1797605 0.92 HRH3 (0.50) SIGMAR1HRH3XDHMAOBESR1
SCHEMBL1795643 0.92 SIGMAR1 (0.53) SIGMAR1HRH3XDHMAOBESR1

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