SCHEMBL1793507

SCHEMBL1793507

CCNCCOc1ccc2c(=O)c3cc(OCCNCC)ccc3sc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CDK1 P06493 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
RAD52 P43351 1/20 0.38
ESR1 P03372 7/20 0.37
MTNR1A P48039 1/20 0.37
HTR1B P28222 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CSF1R P07333 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
SCHEMBL1794547 0.96 KDM4E (0.47) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1792826 0.96 KDM4E (0.41) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1794569 0.95 KDM4E (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1795668 0.92 KDM4E (0.46) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1794150 0.92 ESR1 (0.41) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1796687 0.91 KDM4E (0.48) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1795658 0.91 HTR1B (0.38) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1798858 0.89 KDM4E (0.45) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1799595 0.88 KDM4E (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL1797050 0.87 HTR1B (0.42) KDM4ENPC1ALDH1A1MAPTRAB9A

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 KDM4E 2818/4885NPC1 927/4885ALDH1A1 1267/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885NPC1 1584/4885ALDH1A1 1618/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885NPC1 1148/4885ALDH1A1 1103/4885

“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.