SCHEMBL1796183

SCHEMBL1796183

C[N+](C)(C)CCCOc1ccc2c(c1)C(=O)c1ccc(OCCC[N+](C)(C)C)cc1-2

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
KMT2A Q03164 3/20 0.63
POLB P06746 1/20 0.63
DNMT1 P26358 1/20 0.63
RAD52 P43351 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
CHRNA7 P36544 1/20 0.54
TERT O14746 3/20 0.45
MAOB P27338 1/20 0.42

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
SCHEMBL25937199 0.97 MAPT (0.62) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1796329 0.97 MAPT (0.58) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1797289 0.97 MAPT (0.67) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1794742 0.94 MAPT (0.62) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1796104 0.90 MAPT (0.57) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1797536 0.90 MAPT (0.66) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1796178 0.81 KMT2A (0.50) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1796723 0.79 MAPT (0.56) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1794751 0.78 MAPT (0.56) MAPTKMT2APOLBDNMT1RAD52
SCHEMBL1795609 0.78 MAPT (0.61) MAPTKMT2APOLBDNMT1RAD52

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 MAPT 3330/4885KMT2A 2287/4885POLB 3276/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 MAPT 3318/4885KMT2A 2285/4885POLB 3154/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 MAPT 2875/4885KMT2A 1700/4885POLB 3198/4885

“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.