SCHEMBL1405964

SCHEMBL1405964

NCC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 12/20 0.70
KCNH2 Q12809 11/20 0.70
HRH3 Q9Y5N1 3/20 0.67
SIGMAR1 Q99720 1/20 0.58
HTR2A P28223 2/20 0.56
MAOA P21397 1/20 0.56

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
SCHEMBL14785737 0.87 KCNJ1 (0.72) KCNJ1KCNH2HRH3SIGMAR1HTR2A
SCHEMBL5151630 0.86 KCNJ1 (0.70) KCNJ1KCNH2HRH3SIGMAR1HTR2A
SCHEMBL2731306 0.83 KCNJ1 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL9235484 0.83 KCNJ1 (0.74) KCNJ1KCNH2HRH3SIGMAR1HTR2A
SCHEMBL27178650 0.81 SIRT6 (0.55) HTR2A
SCHEMBL3156895 0.81 HRH3 (1.00) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL5653299 0.81 HRH3 (0.93) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL14786379 0.80 HTR2A (0.72) KCNJ1KCNH2HRH3SIGMAR1HTR2A
SCHEMBL914324 0.79 HRH3 (0.97) KCNJ1KCNH2HRH3SIGMAR1MAOA
SCHEMBL3156570 0.79 HRH3 (0.97) KCNJ1KCNH2HRH3SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9700551-B2 Use of 1H-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-07-11 US disclosed
US-20160045485-A1 NEW USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R. A.F. S.P.A. (IT) 2016-02-18 US disclosed
EP-2817301-B1 USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS ACRAF (IT) 2015-12-23 EP disclosed
US-9163013-B2 Use of 1H-indazole-3-carboxamide compounds as glycogen synthase kinase 3 beta inhibitors AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2015-10-20 US disclosed
EP-2817301-A1 USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO - A.C.R.A.F. - S.p.A. (IT) 2014-12-31 EP disclosed
US-20140378455-A1 NEW USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2014-12-25 US disclosed
WO-2013124169-A1 USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-29 WO disclosed
US-8415476-B2 Indazole having analgesic activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-04-09 US disclosed
EP-1622892-B1 INDAZOLES HAVING ANALGESIC ACTIVITY ACRAF (IT) 2011-03-09 EP disclosed
US-20100094015-A1 INDAZOLE HAVING ANALGESIC ACTIVITY AZIENDE CHIM. RIUN. ANGEL. FRA. A.C.R.A.F. S.P.A. (IT) 2010-04-15 US disclosed
US-7662836-B2 Indazole having analgesic activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-02-16 US disclosed
US-20070010555-A1 Indazole having analgesic activity AZIENDE CHIM. RUIN. ANGEL. FRA. A.C.R.A.F. S.P.A. (IT) 2007-01-11 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-20100094015-A1 INDAZOLE HAVING ANALGESIC ACTIVITY OPRK1, OPRD1, ACHE KCNJ1 759/4885KCNH2 616/4885HRH3 360/4885
US-20140378455-A1 NEW USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS GSK3B, GSK3A, PYGB KCNJ1 1921/4885KCNH2 2047/4885HRH3 4071/4885
US-20160045485-A1 NEW USE OF 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 BETA INHIBITORS GSK3A, GSK3B, PYGB KCNJ1 2008/4885KCNH2 1768/4885HRH3 3502/4885
US-20070010555-A1 Indazole having analgesic activity ACHE, CYP3A43, RPL35A KCNJ1 673/4885KCNH2 583/4885HRH3 196/4885

“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.