SCHEMBL1797602

SCHEMBL1797602

CN1CC2CN(c3ccc4oc5ccc(N)cc5c(=O)c4c3)CC2C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.76
KCNH2 Q12809 1/20 0.76
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 3/20 0.55
GFER P55789 1/20 0.55
TBK1 Q9UHD2 1/20 0.38
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
RAD52 P43351 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
MAPK1 P28482 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL1791588 0.86 CHRNA7 (1.00) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL29615769 0.86 CHRNA7 (1.00) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL1797580 0.85 NPC1 (0.55) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL1794936 0.83 CHRNA7 (0.72) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL1794533 0.83 CHRNA7 (0.72) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL1797566 0.78 CHRNA7 (0.71) CHRNA7KCNH2TBK1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL1792985 0.78 CHRNA7 (0.81) CHRNA7KCNH2NPC1RAB9ATBK1
Hydrochloric Acid SCHEMBL1794591 0.77 CHRNA7 (0.70) CHRNA7KCNH2TBK1KDM4EALDH1A1
SCHEMBL4381356 0.74 RAB9A (1.00) NPC1RAB9ASMN1; SMN2MAPTGFER
SCHEMBL1792369 0.74 CHRNA7 (0.60) CHRNA7KCNH2NPC1RAB9ASMN1; SMN2

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 13 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-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 US claimed
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP claimed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO 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 CHRNA7 8/4885KCNH2 535/4885NPC1 927/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 CHRNA7 5/4885KCNH2 383/4885NPC1 1584/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 CHRNA7 6/4885KCNH2 580/4885NPC1 1148/4885

“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.