SCHEMBL4089546

SCHEMBL4089546

CC1CCCC(C)N1CCCO

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
MAOB P27338 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
SCHEMBL4089544 1.00 HRH3 (0.40) HRH3HRH2HRH1MAOB
Iodide SCHEMBL5786537 0.96 HRH3 (0.41) HRH3HRH2HRH1MAOB
SCHEMBL10469227 0.93 HRH3 (0.39) HRH3HRH2HRH1MAOB
SCHEMBL5723633 0.91 HRH3 (0.37) HRH3HRH2HRH1
SCHEMBL24114570 0.91 HRH3 (0.37) HRH3HRH2HRH1
SCHEMBL4079655 0.86 LTA4H (0.38) HRH3HRH2HRH1MAOB
SCHEMBL8237729 0.86 LTA4H (0.38) HRH3HRH2HRH1MAOB
SCHEMBL4088693 0.86 LTA4H (0.38) HRH3HRH2HRH1MAOB
SCHEMBL23828674 0.85 HRH3 (0.44) HRH3HRH2HRH1MAOB
SCHEMBL25959399 0.80 CASP3 (0.35) HRH3HRH2HRH1MAOB

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
US-7504416-B2 4-substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2009-03-17 US disclosed
US-20080027054-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB 2008-01-31 US disclosed
US-7253184-B2 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2007-08-07 US disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
US-20050101630-A1 4-Substituted quinolines as antitumor agents ASTRAZENECA AB (SE) 2005-05-12 US disclosed
EP-1337513-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2003-08-27 EP disclosed
WO-2002036570-A1 4-SUBSTITUTED QUINOLINES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2002-05-10 WO disclosed
US-4452745-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1984-06-05 US disclosed
EP-0018076-B1 9-AMINOALKYLFLUORENES, PROCESS THEREFOR AND ANTIARRHYTHMIC FORMULATIONS THEREOF ELI LILLY AND COMPANY (US) 1983-09-21 EP disclosed
US-4382093-A 9-Aminoalkylfluorenes ELI LILLY AND COMPANY (US) 1983-05-03 US disclosed
US-4277495-A FLUORENE 9-AMINOALKYL-9-CARBOXYLIC ACIDS OR ESTERS ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed
EP-0018076-A1 9-Aminoalkylfluorenes, process therefor and antiarrhythmic formulations thereof ELI LILLY AND COMPANY (US) 1980-10-29 EP disclosed
US-4112103-A Antiarrhythmic (+,-)-cis-α-[3-(2,6-dimethyl-1-piperidinyl)propyl]-α-phenyl-2-pyridinemethanols PARKE, DAVIS & COMPANY (US) 1978-09-05 US disclosed
US-4031101-A ANTIARRHYTHMIA AGENT PARKE, DAVIS & COMPANY (US) 1977-06-21 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 (4 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-20080027054-A1 4-Substituted quinolines as antitumor agents CCNY, TPD52L2, H1-10 HRH3 345/4885HRH2 740/4885HRH1 1027/4885
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 HRH3 2504/4885HRH2 3624/4885HRH1 3031/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH3 2769/4885HRH2 3827/4885HRH1 3325/4885
US-20050101630-A1 4-Substituted quinolines as antitumor agents NQO2, TPD52L2, MLX HRH3 464/4885HRH2 807/4885HRH1 1056/4885

“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.