SCHEMBL1797178

SCHEMBL1797178

O=S1(=O)c2ccc(OCCN3CCCCC3)cc2-c2cc(OCCN3CCCCC3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.61
KMT2A Q03164 1/20 0.56
PSMB1 P20618 3/20 0.54
PSMB5 P28074 3/20 0.54
PSMB2 P49721 3/20 0.54
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
MAOB P27338 1/20 0.52
BACE1 P56817 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL1794410 0.99 HRH3 (0.59) HRH3KMT2APSMB1PSMB5PSMB2
SCHEMBL1795175 0.96 HRH3 (0.56) HRH3KMT2APSMB1PSMB5PSMB2
SCHEMBL1799422 0.95 HRH3 (0.56) HRH3KMT2APSMB1PSMB5PSMB2
SCHEMBL1793847 0.93 HRH3 (0.54) HRH3KMT2APSMB1PSMB5PSMB2
SCHEMBL1795953 0.93 HRH3 (0.62) HRH3KDM4EMAOBKCNH2
SCHEMBL1793427 0.91 HRH3 (0.60) HRH3KDM4EMAOBKCNH2
SCHEMBL1794354 0.91 HRH3 (0.51) HRH3KMT2APSMB1PSMB5PSMB2
SCHEMBL1793689 0.89 HRH3 (0.61) HRH3KMT2APSMB1PSMB5PSMB2
SCHEMBL1792793 0.89 HRH3 (0.56) HRH3KDM4EMAOB
SCHEMBL1796014 0.88 HRH3 (0.57) HRH3HTR3AMAOBKCNH2

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 HRH3 161/4885KMT2A 2287/4885PSMB1 1993/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885KMT2A 2285/4885PSMB1 1518/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885KMT2A 1700/4885PSMB1 1677/4885

“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.