SCHEMBL1797305

SCHEMBL1797305

CCCNCCCOc1ccc2c(c1)-c1ccc(OCCCNCCC)cc1C2O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
HRH3 Q9Y5N1 1/20 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
DRD2 P14416 7/20 0.42
DRD4 P21917 7/20 0.42
DRD3 P35462 5/20 0.42
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ADRB2 P07550 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
SCHEMBL1797015 0.96 HRH3 (0.44) KMT2AHRH3CYP1A2CYP2D6MAPK1
SCHEMBL1796345 0.95 KMT2A (0.46) KMT2AHRH3CYP1A2CYP2D6MAPK1
SCHEMBL1796221 0.95 KMT2A (0.49) KMT2ACYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL1796411 0.91 HRH3 (0.44) KMT2AHRH3CYP1A2CYP2D6MAPK1
SCHEMBL1794791 0.91 HRH3 (0.45) KMT2AHRH3CYP1A2CYP2D6MAPK1
SCHEMBL1795532 0.91 DRD2 (0.43) KMT2ACYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL1793696 0.87 HRH3 (0.45) KMT2AHRH3CYP1A2CYP2D6MAPK1
SCHEMBL1795679 0.85 PDK2 (0.51) KMT2AHRH3ALDH1A1MEN1L3MBTL1
SCHEMBL1797562 0.85 SLC6A4 (0.46) KMT2AHRH3CYP1A2CYP2D6MAPK1
SCHEMBL1793938 0.85 HRH3 (0.45) KMT2AHRH3CYP1A2CYP2D6MAPK1

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 KMT2A 2287/4885HRH3 161/4885CYP1A2 356/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KMT2A 2285/4885HRH3 321/4885CYP1A2 303/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KMT2A 1700/4885HRH3 199/4885CYP1A2 368/4885

“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.