SCHEMBL4085017

SCHEMBL4085017

CC1CCCCN1CCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.50
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
HRH2 P25021 1/20 0.50
HRH1 P35367 1/20 0.50
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
HTR3A P46098 1/20 0.45

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
SCHEMBL1641511 0.96 KDM4E (0.50) HRH3CYP3A4CYP2D6KDM4EHTR3A
SCHEMBL4089838 0.83 LTA4H (0.56) HRH3MAOBHRH2HRH1CYP3A4
SCHEMBL4089420 0.83 LTA4H (0.56) HRH3MAOBHRH2HRH1CYP3A4
SCHEMBL4088546 0.82 MAOB (0.47) HRH3MAOBMAOAHRH2HRH1
SCHEMBL4079978 0.81 LTA4H (0.54) HRH3MAOBHRH2HRH1CYP3A4
SCHEMBL4079969 0.81 LTA4H (0.54) HRH3MAOBHRH2HRH1CYP3A4
SCHEMBL4079558 0.80 HRH3 (0.55) HRH3MAOBHRH2HRH1CYP3A4
SCHEMBL4079556 0.80 HRH3 (0.55) HRH3MAOBHRH2HRH1CYP3A4
SCHEMBL16621068 0.79 KCNH2 (0.50) HRH3
SCHEMBL1640980 0.78 LTA4H (0.68) HRH3MAOBKDM4ENPSR1

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 5 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
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 HRH3 2504/4885MAOB 3587/4885MAOA 3407/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 HRH3 2769/4885MAOB 3738/4885MAOA 3616/4885

“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.