Sugi Predict

Sugi Predict / Compounds / SCHEMBL1640980

SCHEMBL1640980

SCHEMBL1640980

Brc1ccc2cc(OCCN3CCCC3)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.68
▸ PTGS2 P35354 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ HRH3 Q9Y5N1 5/20 0.57
▸ MAOB P27338 1/20 0.56
▸ PSMB1 P20618 1/20 0.54
▸ PSMB5 P28074 1/20 0.54
▸ PSMB2 P49721 1/20 0.54
▸ SLC6A2 P23975 1/20 0.53
▸ SLC6A4 P31645 1/20 0.53

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
SCHEMBL4085732 0.98 LTA4H (0.66) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL4084094 0.98 LTA4H (0.66) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL4080457 0.97 LTA4H (0.64) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL4090273 0.91 ATM (0.68) NPSR1KDM4EATML3MBTL1HRH3
SCHEMBL8780108 0.90 ATM (0.59) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL5754492 0.89 LTA4H (0.56) LTA4HPTGS2NPSR1KDM4EPOLB
SCHEMBL5442329 0.87 TSHR (0.66) LTA4HKDM4EHRH3SLC6A2SLC6A4
SCHEMBL229697 0.85 LTA4H (0.90) LTA4HPTGS2KDM4EATML3MBTL1
SCHEMBL227976 0.83 LTA4H (0.87) LTA4HPTGS2KDM4EATML3MBTL1
SCHEMBL5116881 0.83 LTA4H (0.87) LTA4HPTGS2KDM4EATML3MBTL1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 — — US claimed
US-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 — — US claimed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 — — US claimed
JP-2006514926-A — — 2006-05-18 — — JP claimed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 — — EP claimed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 — — US claimed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 — — WO claimed
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 — — US claimed
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 — — US disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 — — US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 — — US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 — — US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 — — US disclosed
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative MSD K.K. (JP) 2009-10-22 — — US disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 — — US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 — — EP disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 — — WO disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 — — US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 — — WO disclosed
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES 2004-05-13 — — 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 (6 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-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 LTA4H 512/4885PTGS2 1439/4885NPSR1 52/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 LTA4H 512/4885PTGS2 1439/4885NPSR1 52/4885
US-20040092521-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 LTA4H 469/4885PTGS2 1173/4885NPSR1 70/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 LTA4H 436/4885PTGS2 1493/4885NPSR1 56/4885
US-20090264426-A1 Bicyclic aromatic substituted pyridone derivative PYCR1, CHRM1, MTR LTA4H 1526/4885PTGS2 2659/4885NPSR1 2720/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 LTA4H 2448/4885PTGS2 1604/4885NPSR1 2374/4885

“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.