SCHEMBL1798950

SCHEMBL1798950

CCCNCCOc1ccc2sc3ccc(OCCNCCC)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD4 P21917 8/20 0.44
DRD3 P35462 7/20 0.44
HTR1B P28222 2/20 0.43
KMT2A Q03164 1/20 0.42
MTNR1A P48039 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
CARM1 Q86X55 1/20 0.40
ESR1 P03372 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
SCHEMBL1795698 0.95 KMT2A (0.48) DRD2DRD4DRD3HTR1BKMT2A
SCHEMBL1794257 0.94 ESR1 (0.41) DRD2DRD4DRD3HTR1BKMT2A
SCHEMBL1794260 0.91 KDM4E (0.47) DRD2DRD4DRD3HTR1BKMT2A
SCHEMBL1798001 0.90 KMT2A (0.44) DRD2DRD4DRD3HTR1BKMT2A
SCHEMBL1797050 0.89 HTR1B (0.42) DRD2DRD4DRD3HTR1BMTNR1A
SCHEMBL1794994 0.88 DRD2 (0.44) DRD2DRD4DRD3HTR1BKMT2A
SCHEMBL1798805 0.87 KDM4E (0.46) DRD2DRD4DRD3HTR1BKMT2A
SCHEMBL1795668 0.87 KDM4E (0.46) DRD2DRD4DRD3HTR1BKMT2A
SCHEMBL1797809 0.84 DRD2 (0.44) DRD2DRD4DRD3HTR1BKMT2A
SCHEMBL1795658 0.84 HTR1B (0.38) DRD2DRD4DRD3HTR1BMTNR1A

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.