SCHEMBL1799332

SCHEMBL1799332

O=C1c2ccc(OCCN3CCC3)cc2-c2cc(OCCN3CCC3)ccc21

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.66
KMT2A Q03164 1/20 0.57
ADORA2A P29274 3/20 0.56
ADORA1 P30542 3/20 0.56
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
KDM4E B2RXH2 1/20 0.52
MAOB P27338 1/20 0.52
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
SCHEMBL1795100 0.97 HRH3 (0.63) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1793168 0.97 HRH3 (0.70) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1796383 0.95 HRH3 (0.72) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1794396 0.94 HRH3 (0.67) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1792610 0.94 HRH3 (0.66) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1794815 0.93 HRH3 (0.69) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL11754397 0.92 HRH3 (0.72) HRH3KMT2AADORA2AADORA1HTR3E
Hydrochloric Acid SCHEMBL11853855 0.92 HRH3 (0.68) HRH3KMT2AADORA2AADORA1HTR3E
Hydrochloric Acid SCHEMBL11603838 0.92 HRH3 (0.68) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1794586 0.92 HRH3 (0.67) HRH3ADORA2AADORA1HTR3AKCNH2

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 2287/4885ADORA2A 48/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 HRH3 321/4885KMT2A 2285/4885ADORA2A 55/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 HRH3 199/4885KMT2A 1700/4885ADORA2A 58/4885

“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.