SCHEMBL3594455

SCHEMBL3594455

CNCC1CCN(CCc2ccc(OC)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.71
SIGMAR1 Q99720 2/20 0.65
HRH3 Q9Y5N1 1/20 0.61
HTR1A P08908 2/20 0.59
SLC6A4 P31645 2/20 0.59
GSK3B P49841 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
SCHEMBL3590279 0.84 SIGMAR1 (0.58) L3MBTL1SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL3590302 0.83 SIGMAR1 (0.69) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL14878042 0.83 SIGMAR1 (0.69) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL12023880 0.81 SIGMAR1 (0.75) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL10499190 0.80 SIGMAR1 (0.73) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL15615362 0.79 SIGMAR1 (0.67) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL19189995 0.79 SIGMAR1 (0.67) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL9881343 0.78 SIGMAR1 (0.65) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL3590284 0.77 SIGMAR1 (0.60) SIGMAR1HRH3HTR1ASLC6A4
SCHEMBL29356024 0.77 HRH3 (1.00) L3MBTL1SIGMAR1HRH3SLC6A4

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
US-8507528-B2 2-alkyl-indazole compounds for the treatment of certain cns-related disorders AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-08-13 US disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP disclosed
US-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2010-03-04 US disclosed
EP-2099780-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2009-09-16 EP disclosed
WO-2008061688-A1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2008-05-29 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 (1 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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA L3MBTL1 2729/4885SIGMAR1 1349/4885HRH3 348/4885

“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.