SCHEMBL1379554

SCHEMBL1379554

CC(C)n1nc(C(=O)NCC2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 20/20 0.75
HTR2A P28223 9/20 0.75
KCNH2 Q12809 4/20 0.61

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
SCHEMBL1383889 0.90 HTR4 (0.74) HTR4HTR2AKCNH2
SCHEMBL1376077 0.89 HTR4 (0.73) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL3220552 0.89 HTR4 (0.74) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL3260270 0.89 HTR4 (0.73) HTR4HTR2AKCNH2
SCHEMBL1377419 0.89 HTR4 (0.72) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL3218672 0.88 HTR4 (0.73) HTR4HTR2AKCNH2
SCHEMBL1381802 0.87 HTR4 (0.66) HTR4HTR2AKCNH2
Hydrochloric Acid SCHEMBL3209795 0.86 HTR4 (0.65) HTR4HTR2AKCNH2
SCHEMBL1405907 0.85 HTR4 (1.00) HTR4HTR2AKCNH2
SCHEMBL1378869 0.84 HTR4 (0.67) HTR4HTR2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4724651-B2 2011-07-13 JP claimed
EP-1594859-B1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY ACRAF (IT) 2010-06-23 EP claimed
US-7632849-B2 N3-((1-(2-Oxo-2-(phenylamino)ethyl)-4-piperidyl)methyl)- 1-(1-methylethyl)-1H-indazole-3-carboxamide; antiarthritic agents; rheumatic diseases; osteoarthritis; fibromyaleia;anticarcinogenic agents, pain; neuropathic pain; immunoincompetance; trauma; antiischemic agents; multiple sclerosis AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2009-12-15 US claimed
US-20060052417-A1 Indazolamides with analgesic activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2006-03-09 US claimed
EP-1594859-A1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2005-11-16 EP claimed
WO-2004074275-A1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2004-09-02 WO claimed
US-8519139-B2 Indazolamides with analgesic activity Aziende Chimeche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2013-08-27 US disclosed
EP-1594859-B1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY ACRAF (IT) 2010-06-23 EP disclosed
US-20100048907-A1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO S.P.A. (IT) 2010-02-25 US disclosed
US-7632849-B2 N3-((1-(2-Oxo-2-(phenylamino)ethyl)-4-piperidyl)methyl)- 1-(1-methylethyl)-1H-indazole-3-carboxamide; antiarthritic agents; rheumatic diseases; osteoarthritis; fibromyaleia;anticarcinogenic agents, pain; neuropathic pain; immunoincompetance; trauma; antiischemic agents; multiple sclerosis AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2009-12-15 US disclosed
US-20060052417-A1 Indazolamides with analgesic activity AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2006-03-09 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 (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-20100048907-A1 INDAZOLAMIDES WITH ANALGESIC ACTIVITY TRPV1, CA2, TRPV2 HTR4 514/4885HTR2A 342/4885KCNH2 34/4885
US-20060052417-A1 Indazolamides with analgesic activity P2RX7, P2RX3, P2RX1 HTR4 841/4885HTR2A 859/4885KCNH2 30/4885

“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.