SCHEMBL1794791

SCHEMBL1794791

CCCNCCOc1ccc2c(c1)C(O)c1cc(OCCNCCC)ccc1-2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.45
DRD2 P14416 6/20 0.41
DRD4 P21917 6/20 0.41
DRD3 P35462 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
PDK2 Q15119 4/20 0.40
ADRB2 P07550 1/20 0.39
HTR1B P28222 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
CARM1 Q86X55 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1796345 0.96 KMT2A (0.46) HRH3DRD2DRD4DRD3KMT2A
SCHEMBL1797015 0.95 HRH3 (0.44) HRH3DRD2DRD4DRD3SMN1; SMN2
SCHEMBL1797305 0.91 KMT2A (0.45) HRH3DRD2DRD4DRD3KMT2A
SCHEMBL1792668 0.90 HRH3 (0.46) HRH3DRD2DRD4DRD3SMN1; SMN2
SCHEMBL1795532 0.88 DRD2 (0.43) DRD2DRD4DRD3SMN1; SMN2KMT2A
SCHEMBL1793938 0.85 HRH3 (0.45) HRH3DRD2DRD4DRD3KMT2A
SCHEMBL1793696 0.85 HRH3 (0.45) HRH3DRD2DRD4DRD3SMN1; SMN2
SCHEMBL1796221 0.84 KMT2A (0.49) DRD2DRD4DRD3KMT2AADRB2
SCHEMBL1794116 0.83 PDK2 (0.54) HRH3SMN1; SMN2KMT2APDK2HTR1B
SCHEMBL1799261 0.82 PDK2 (0.55) HRH3SMN1; SMN2KMT2APDK2ADRB2

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 HRH3 161/4885DRD2 784/4885DRD4 1335/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885DRD2 906/4885DRD4 1454/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885DRD2 605/4885DRD4 1134/4885

“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.