SCHEMBL1795017

SCHEMBL1795017

CCN(CC)CCOc1ccc2[nH]c3ccc(OCCN(CC)CC)cc3c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.58
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
CHRNA7 P36544 1/20 0.55
SIGMAR1 Q99720 2/20 0.53
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
SMARCA2 P51531 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
EBP Q15125 1/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
LTA4H P09960 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1796359 0.94 PARP1 (0.54) PARP1MAPTKMT2ACHRNA7SIGMAR1
SCHEMBL1796115 0.92 KDM4E (0.59) PARP1MAPTKMT2ASIGMAR1MAOB
SCHEMBL1793678 0.91 PARP1 (0.60) PARP1MAPTKMT2ACHRNA7SIGMAR1
SCHEMBL1797716 0.89 PARP1 (0.48) PARP1MAPTKMT2ACHRNA7SIGMAR1
SCHEMBL1794224 0.87 MAPT (0.55) PARP1MAPTKMT2ACHRNA7SIGMAR1
SCHEMBL1797220 0.87 KDM4E (0.54) PARP1SIGMAR1MAOBKDM4E
SCHEMBL1796162 0.86 PARP1 (0.55) PARP1MAPTKMT2ACHRNA7SIGMAR1
Hydrochloric Acid SCHEMBL31070044 0.86 MAPT (0.54) PARP1MAPTKMT2ACHRNA7SIGMAR1
SCHEMBL1797461 0.84 XDH (0.57) PARP1MAPTKMT2ACHRNA7SIGMAR1
SCHEMBL1796400 0.84 MAOA (0.46) PARP1MAPTKMT2ASIGMAR1KDM4E

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 PARP1 1668/4885MAPT 3330/4885KMT2A 2287/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PARP1 2033/4885MAPT 3318/4885KMT2A 2285/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PARP1 2735/4885MAPT 2875/4885KMT2A 1700/4885

“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.