SCHEMBL1795487

SCHEMBL1795487

CNCCOc1ccc2c(c1)c1cc(OCCNC)ccc1n2C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.49
HTR1D P28221 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
PDK2 Q15119 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL1796982 0.95 HTR1B (0.50) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL1796853 0.94 KDM4E (0.45) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL1797158 0.91 KDM4E (0.46) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL1794472 0.90 HTR1B (0.45) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL1798075 0.87 HTR1B (0.49) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL1795726 0.86 HTR1B (0.45) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL1792684 0.86 LMNA (0.42) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL1800670 0.85 MEN1 (0.45) HTR1BKDM4EALDH1A1LMNAMAPT
SCHEMBL1794252 0.84 SLC6A4 (0.46) HTR1BHTR1DKDM4EALDH1A1LMNA
SCHEMBL1793087 0.83 KMT2A (0.43) HTR1BHTR1DKDM4EALDH1A1LMNA

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 HTR1B 34/4885HTR1D 76/4885KDM4E 2818/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HTR1B 42/4885HTR1D 80/4885KDM4E 2402/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HTR1B 39/4885HTR1D 92/4885KDM4E 2270/4885

“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.