SCHEMBL1797809

SCHEMBL1797809

CCNCCCOc1ccc2sc3ccc(OCCCNCC)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.44
DRD4 P21917 11/20 0.44
DRD3 P35462 10/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.42
SLC6A4 P31645 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
MTNR1A P48039 1/20 0.39

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
SCHEMBL1797050 0.95 HTR1B (0.42) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL1796941 0.94 CYP1A2 (0.40) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL1796687 0.93 KDM4E (0.48) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL1795658 0.90 HTR1B (0.38) DRD2DRD4DRD3ADRB2HTR1B
SCHEMBL1795698 0.89 KMT2A (0.48) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL1794569 0.88 KDM4E (0.49) DRD2DRD4DRD3KMT2AADRB2
SCHEMBL1794547 0.88 KDM4E (0.47) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL1796261 0.88 DRD2 (0.44) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL1798950 0.84 DRD2 (0.44) DRD2DRD4DRD3CYP1A2CYP2D6
SCHEMBL1798805 0.84 KDM4E (0.46) DRD2DRD4DRD3CYP1A2CYP2D6

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 DRD2 784/4885DRD4 1335/4885DRD3 793/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 DRD2 906/4885DRD4 1454/4885DRD3 859/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 DRD2 605/4885DRD4 1134/4885DRD3 729/4885

“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.