SCHEMBL1799541

SCHEMBL1799541

c1cc2c(cc1OCCN1CCCCC1)oc1cc(OCCN3CCCCC3)ccc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.70
XDH P47989 4/20 0.65
BCHE P06276 1/20 0.61
ACHE P22303 1/20 0.61
CCR4 P51679 2/20 0.61
HRH3 Q9Y5N1 2/20 0.59
SIGMAR1 Q99720 3/20 0.59
PSMB1 P20618 1/20 0.56
PSMB5 P28074 1/20 0.56
PSMB2 P49721 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL1801993 0.98 MAOB (0.68) MAOBXDHBCHEACHECCR4
SCHEMBL1793974 0.95 MAOB (0.64) MAOBXDHBCHEACHECCR4
SCHEMBL1795429 0.94 MAOB (0.65) MAOBXDHBCHEACHEHRH3
Hydrochloric Acid SCHEMBL28896614 0.93 MAOB (0.63) MAOBXDHBCHEACHEHRH3
SCHEMBL1794105 0.93 MAOB (0.62) MAOBXDHBCHEACHECCR4
SCHEMBL1796613 0.93 XDH (0.75) MAOBXDHBCHEACHEHRH3
SCHEMBL11089375 0.92 MAOB (0.66) MAOBXDHBCHEACHEHRH3
SCHEMBL1794949 0.92 XDH (0.78) MAOBXDHBCHEACHECCR4
Hydrochloric Acid SCHEMBL28435211 0.92 MAOB (0.61) MAOBXDHBCHEACHECCR4
SCHEMBL1794883 0.91 XDH (0.74) MAOBXDHHRH3SIGMAR1

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 MAOB 139/4885XDH 49/4885BCHE 282/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 MAOB 99/4885XDH 49/4885BCHE 175/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 MAOB 133/4885XDH 242/4885BCHE 197/4885

“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.