SCHEMBL1795205

SCHEMBL1795205

CCNCCOc1ccc2c(c1)-c1cc(OCCNCC)ccc1C2

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
DRD2 P14416 5/20 0.41
DRD4 P21917 5/20 0.41
DRD3 P35462 4/20 0.41
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
HTR1B P28222 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.38
CARM1 Q86X55 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
SCHEMBL1792310 0.95 SLC6A4 (0.41) ADRB2SLC6A4HRH3DRD2DRD4
SCHEMBL1793417 0.95 SLC6A4 (0.46) SLC6A4HRH3DRD2DRD4DRD3
SCHEMBL1794921 0.91 SLC6A4 (0.46) SLC6A4HRH3DRD2DRD4DRD3
SCHEMBL1793359 0.90 SLC6A4 (0.44) ADRB2SLC6A4HRH3DRD2DRD4
SCHEMBL1793343 0.89 DRD2 (0.44) DRD2DRD4DRD3BRD4HTR1B
SCHEMBL1793613 0.86 SLC6A4 (0.48) SLC6A4HRH3DRD2DRD4DRD3
SCHEMBL1794788 0.85 DRD2 (0.41) DRD2DRD4DRD3KDM4EPOLB
SCHEMBL1796284 0.84 KMT2A (0.48) DRD2DRD4DRD3BRD4KDM4E
SCHEMBL1795087 0.83 KDM4E (0.50) KDM4EPOLBHTR1B
SCHEMBL1795789 0.82 KDM4E (0.56) BRD4KDM4EPOLBHTR1BSMN1; SMN2

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 ADRB2 43/4885SLC6A4 402/4885HRH3 161/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 ADRB2 34/4885SLC6A4 489/4885HRH3 321/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 ADRB2 28/4885SLC6A4 338/4885HRH3 199/4885

“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.