SCHEMBL1798018

SCHEMBL1798018

CN(C)CCCOc1ccc2c(c1)c(=O)c1cc(OCCCN(C)C)ccc1n2C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
FGFR1 P11362 2/20 0.50
SRC P12931 2/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
MAPK14 Q16539 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
ATM Q13315 1/20 0.44
LSS P48449 1/20 0.44
KCNA3 P22001 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
SCHEMBL1795805 0.95 HPGD (0.48) HPGDFGFR1SRCKDM4EALDH1A1
SCHEMBL11388007 0.94 FGFR1 (0.51) HPGDFGFR1SRCKDM4EALDH1A1
SCHEMBL1798361 0.93 HPGD (0.59) HPGDFGFR1SRCKDM4EALDH1A1
SCHEMBL1795141 0.91 FGFR1 (0.54) HPGDFGFR1SRCKDM4EALDH1A1
SCHEMBL11377007 0.90 FGFR1 (0.52) HPGDFGFR1SRCKDM4EALDH1A1
SCHEMBL1793673 0.89 KDM4E (0.47) HPGDFGFR1SRCKDM4EALDH1A1
SCHEMBL1795489 0.88 HPGD (0.55) HPGDFGFR1SRCKDM4EALDH1A1
SCHEMBL11385638 0.87 HPGD (0.54) HPGDFGFR1SRCKDM4EALDH1A1
SCHEMBL1793625 0.86 XDH (0.56) KDM4EALDH1A1SIGMAR1HRH3
SCHEMBL1796844 0.86 FGFR1 (0.50) HPGDFGFR1SRCKDM4EALDH1A1

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 HPGD 2230/4885FGFR1 2695/4885SRC 2436/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HPGD 2086/4885FGFR1 4000/4885SRC 2153/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HPGD 2140/4885FGFR1 3030/4885SRC 1757/4885

“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.