SCHEMBL1794503

SCHEMBL1794503

CN(C)C1CCN(c2ccc3c(c2)C(=O)c2cc(N4CCC(N(C)C)C4)ccc2-3)C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
MCHR1 Q99705 3/20 0.45
HTR2B P41595 2/20 0.44
HTR6 P50406 2/20 0.44
KCNH2 Q12809 1/20 0.43
RORC P51449 2/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
KDR P35968 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
SCHEMBL1794500 1.00 CHRNA7 (0.49) CHRNA7MCHR1HTR2BHTR6KCNH2
Hydrochloric Acid SCHEMBL1797232 0.99 CHRNA7 (0.48) CHRNA7MCHR1HTR2BHTR6KCNH2
Hydrochloric Acid SCHEMBL1797230 0.99 CHRNA7 (0.48) CHRNA7MCHR1HTR2BHTR6KCNH2
SCHEMBL29276792 0.76 KDR (0.43) MCHR1HTR2BHTR6KCNH2RORC
SCHEMBL29276789 0.76 KDR (0.43) MCHR1HTR2BHTR6KCNH2RORC
SCHEMBL29276828 0.76 KDR (0.43) MCHR1HTR2BHTR6KCNH2RORC
SCHEMBL27998245 0.75 LCK (0.51)
SCHEMBL14450799 0.74 MCHR1 (0.49) MCHR1KCNH2RORC
SCHEMBL14924424 0.74 MCHR1 (0.49) MCHR1KCNH2RORC
SCHEMBL34469712 0.74 MCHR1 (0.49) MCHR1KCNH2RORC

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 12 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
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-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
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO 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 (2 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 8/4885MCHR1 218/4885HTR2B 47/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 CHRNA7 5/4885MCHR1 533/4885HTR2B 54/4885

“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.