SCHEMBL1795758

SCHEMBL1795758

C[N+](C)(C)CCOc1ccc2c(c1)-c1cc(OCC[N+](C)(C)C)ccc1C2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA10 Q9GZZ6 1/20 0.42
CHRNA9 Q9UGM1 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
TERT O14746 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
DNMT1 P26358 1/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ESR1 P03372 2/20 0.38

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
SCHEMBL1797874 0.95 MAPT (0.43) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL1797948 0.93 POLB (0.41) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL1793855 0.89 KMT2A (0.43) CHRNB4CHRNA3CHRNA7CHRNA10CHRNA9
SCHEMBL1793114 0.89 MAPT (0.45) CHRNA7TERTPOLBMAPTDNMT1
SCHEMBL1794906 0.83 MAPT (0.44) TERTPOLBMAPTDNMT1RAD52
SCHEMBL4896582 0.81 CES2 (0.47) MAPTKMT2ABRD4MAOAMAOB
SCHEMBL4897451 0.81 MEN1 (0.49) MAPTKMT2ABRD4
SCHEMBL1798330 0.80 KMT2A (0.49) CHRNA7TERTPOLBMAPTDNMT1
SCHEMBL1800679 0.78 TAAR1 (0.45) KMT2AMAOAMAOB
SCHEMBL1796676 0.77 HRH3 (0.50) CHRNB2CHRNA4MAPTKMT2A

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 CHRNB4 26/4885CHRNA3 14/4885CHRNA7 8/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 CHRNB4 19/4885CHRNA3 11/4885CHRNA7 5/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 CHRNB4 18/4885CHRNA3 13/4885CHRNA7 6/4885

“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.