SCHEMBL1797948

SCHEMBL1797948

C[N+](C)(C)CCCOc1ccc2c(c1)-c1cc(OCCC[N+](C)(C)C)ccc1C2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
DNMT1 P26358 1/20 0.41
RAD52 P43351 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA10 Q9GZZ6 1/20 0.37
CHRNA9 Q9UGM1 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL1793114 0.95 MAPT (0.45) POLBMAPTDNMT1RAD52KMT2A
SCHEMBL1795758 0.93 CHRNB4 (0.42) POLBMAPTDNMT1RAD52KMT2A
SCHEMBL1794906 0.90 MAPT (0.44) POLBMAPTDNMT1RAD52KMT2A
SCHEMBL1797874 0.89 MAPT (0.43) POLBMAPTDNMT1RAD52KMT2A
SCHEMBL1793855 0.83 KMT2A (0.43) POLBMAPTDNMT1RAD52KMT2A
SCHEMBL4897451 0.82 MEN1 (0.49) MAPTKMT2ABRD4
SCHEMBL1796178 0.81 KMT2A (0.50) POLBMAPTDNMT1RAD52KMT2A
SCHEMBL4896582 0.79 CES2 (0.47) MAPTKMT2ABRD4MAOAMAOB
SCHEMBL1796564 0.77 PDK2 (0.44) BRD4MAOAMAOBHRH3
SCHEMBL1796329 0.77 MAPT (0.58) POLBMAPTDNMT1RAD52KMT2A

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 POLB 3276/4885MAPT 3330/4885DNMT1 3165/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 POLB 3154/4885MAPT 3318/4885DNMT1 3177/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 POLB 3198/4885MAPT 2875/4885DNMT1 2269/4885

“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.