SCHEMBL1797481

SCHEMBL1797481

O=c1c2cc(OCCN3CCCC3)ccc2[nH]c2ccc(OCCN3CCCC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.61
LTA4H P09960 1/20 0.58
KDM4E B2RXH2 2/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
SIGMAR1 Q99720 3/20 0.56
HRH3 Q9Y5N1 3/20 0.53
ALDH1A1 P00352 1/20 0.53
KDR P35968 1/20 0.53
TERT O14746 1/20 0.52

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
SCHEMBL1795516 0.99 PARP1 (0.64) PARP1LTA4HKDM4EHSD17B10POLB
SCHEMBL1793892 0.97 PARP1 (0.58) PARP1LTA4HKDM4EHSD17B10POLB
SCHEMBL1799064 0.95 PARP1 (0.57) PARP1LTA4HKDM4EHSD17B10POLB
SCHEMBL1793608 0.94 PARP1 (0.59) PARP1LTA4HKDM4EHSD17B10POLB
SCHEMBL1796078 0.93 PARP1 (0.58) PARP1KDM4EHSD17B10POLBHPGD
SCHEMBL1794617 0.92 PARP1 (0.54) PARP1LTA4HKDM4EHSD17B10POLB
SCHEMBL1794242 0.92 PARP1 (0.60) PARP1KDM4EHSD17B10POLBHPGD
SCHEMBL1797242 0.91 LTA4H (0.63) PARP1LTA4HKDM4ESIGMAR1HRH3
SCHEMBL1796139 0.90 PARP1 (0.55) PARP1KDM4EHSD17B10POLBHPGD
SCHEMBL1793571 0.90 PARP1 (0.62) PARP1LTA4HSIGMAR1HRH3

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 1668/4885LTA4H 1340/4885KDM4E 2818/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 PARP1 2033/4885LTA4H 1456/4885KDM4E 2402/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 PARP1 2735/4885LTA4H 1047/4885KDM4E 2270/4885

“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.