SCHEMBL1796643

SCHEMBL1796643

CN(C)CCCOc1ccc2c3ccc(OCCCN(C)C)cc3n(C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FGFR1 P11362 2/20 0.51
SRC P12931 2/20 0.51
HRH3 Q9Y5N1 4/20 0.50
LSS P48449 1/20 0.49
MAOA P21397 1/20 0.47
HASPIN Q8TF76 1/20 0.46
MAPK14 Q16539 1/20 0.45
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1796844 0.94 FGFR1 (0.50) KDM4EALDH1A1SMN1; SMN2FGFR1SRC
SCHEMBL1794468 0.92 HPGD (0.51) KDM4EALDH1A1FGFR1SRCHRH3
SCHEMBL1793673 0.91 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2FGFR1SRC
SCHEMBL1796118 0.87 ESR1 (0.46) KDM4EALDH1A1SMN1; SMN2FGFR1SRC
SCHEMBL1795141 0.87 FGFR1 (0.54) KDM4EALDH1A1SMN1; SMN2FGFR1SRC
SCHEMBL1795805 0.86 HPGD (0.48) KDM4EALDH1A1SMN1; SMN2FGFR1SRC
SCHEMBL1795529 0.86 HPGD (0.56) KDM4EALDH1A1FGFR1SRCHRH3
SCHEMBL11379836 0.85 L3MBTL1 (0.50) KDM4EALDH1A1SMN1; SMN2FGFR1SRC
SCHEMBL1795153 0.84 KDM4E (0.57) KDM4EHRH3MAOA
SCHEMBL11809193 0.84 HTR1B (0.49) KDM4EALDH1A1SMN1; SMN2FGFR1SRC

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 KDM4E 2818/4885ALDH1A1 1267/4885SMN1; SMN2 1026/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885ALDH1A1 1618/4885SMN1; SMN2 701/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885ALDH1A1 1103/4885SMN1; SMN2 845/4885

“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.