SCHEMBL1795398

SCHEMBL1795398

Cn1c2ccc(OCCN3CCC3)cc2c(=O)c2cc(OCCN3CCC3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.53
HRH3 Q9Y5N1 7/20 0.50
MAOB P27338 5/20 0.50
TSHR P16473 1/20 0.48
MCHR1 Q99705 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PARP1 P09874 1/20 0.47

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
SCHEMBL1795765 0.97 SIGMAR1 (0.56) SIGMAR1HRH3MAOBTSHRMCHR1
SCHEMBL1793194 0.96 SIGMAR1 (0.57) SIGMAR1HRH3MAOBTSHRPARP1
SCHEMBL1794312 0.95 SIGMAR1 (0.49) SIGMAR1HRH3MAOBTSHR
SCHEMBL1795296 0.93 XDH (0.55) SIGMAR1HRH3MAOB
SCHEMBL1795459 0.92 SIGMAR1 (0.52) SIGMAR1HRH3MAOBTSHR
SCHEMBL1796063 0.91 KDM4E (0.55) SIGMAR1TSHRKDM4E
SCHEMBL11387442 0.91 XDH (0.54) SIGMAR1HRH3MAOBMCHR1
SCHEMBL1794355 0.91 MAOB (0.54) SIGMAR1HRH3MAOBTSHRPARP1
SCHEMBL1794391 0.90 XDH (0.58) SIGMAR1HRH3MAOB
SCHEMBL11389372 0.90 HRH3 (0.55) SIGMAR1HRH3MAOBMCHR1

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 161/4885MAOB 139/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 SIGMAR1 103/4885HRH3 321/4885MAOB 99/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 SIGMAR1 135/4885HRH3 199/4885MAOB 133/4885

“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.