SCHEMBL3597607

SCHEMBL3597607

NCCC1CNc2ccc(O)cc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ESR2 Q92731 4/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
ESR1 P03372 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2A P28223 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL14234588 0.81 EGFR (0.35) CHRNB2CHRNA4ESR2ESR1
SCHEMBL5493492 0.81 TACR2 (0.39) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL14724849 0.81 CHRNB2 (0.37) CHRNB2CHRNA4SLC6A2SLC6A4HTR1A
SCHEMBL19187434 0.80 ADRA2A (0.38) HTR1AHTR1DHTR2C
SCHEMBL13579980 0.80 MEN1 (0.42) CHRNB2CHRNA4ESR2DRD2DRD4
SCHEMBL27858124 0.79 HTR2A (0.39) HTR2A
SCHEMBL12369307 0.77 CHRNB2 (0.37) CHRNB2CHRNA4ESR2DRD2DRD4
SCHEMBL7448411 0.77 HTR2A (0.39) HTR2CHTR2A
SCHEMBL11473137 0.76 IDO1 (0.45) HTR2A
SCHEMBL29558888 0.76 IDO1 (0.45) HTR2A

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 20 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
CN-101558057-B 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF 2013-05-01 CN disclosed
EP-2099780-B1 2 -ALKYL- INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS ACRAF (IT) 2013-01-09 EP disclosed
WO-2012163898-A1 DYE COMPOSITION USING A (HYDROXY)INDOLINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESS AND DEVICES L'OREAL (FR) 2012-12-06 WO 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
CN-101558057-A 2 -alkyl- indazole compounds for the treatment of certain cns-related disorders ACRAF (IT) 2009-10-14 CN 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
US-20070129312-A1 Convalent conjugates of biologically-active compounds with amino acids and amino acid derivatives for targeting to physiologically-protected sites YATVIN MILTON B 2007-06-07 US disclosed
US-20070129312-A1 Convalent conjugates of biologically-active compounds with amino acids and amino acid derivatives for targeting to physiologically-protected sites YATVIN MILTON B 2007-06-07 US disclosed
CN-1282644-C Indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-11-01 CN disclosed
CN-1267438-C antidepressant indoletetrahydropyridine derivatives of 2,3-dihydro-7h-[1,4] dioxino [2,3-3] indole WYETH CORP (US) 2006-08-02 CN disclosed
CN-1244558-C 1,2-indane or indoline derivative LUNDBECK & CO AS H (DK) 2006-03-08 CN disclosed
CN-1515551-A 1,2-indane or indoline derivative H.¡�±������޹�˾ 2004-07-28 CN disclosed
CN-1503800-A antidepressant indoletetrahydropyridine derivatives of 2,3-dihydro-7h-[1,4] dioxino [2,3-3] indole 2004-06-09 CN disclosed
CN-1495165-A Indane or indoline derivative H.¡�±������޹�˾ 2004-05-12 CN disclosed
CN-1146556-C 1, 2-indane or indoline derivative and preparation method and application thereof H.¡�±������޹�˾ 2004-04-21 CN disclosed
CN-1246117-A 1, 2-indane or indoline derivatives LUNDBECK & CO AS H (DK) 2000-03-01 CN disclosed
CN-1036566-A 1,3,4,5-tetrahydro benzo [c, d] diindyl compounds BAYER AG (DE) 1989-10-25 CN disclosed
CN-87107539-A The alkaline 2-amino-1,2,3,4-tetralin that replaces 1988-07-13 CN 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-20100056573-A1 2-ALKYL-INDAZOLE COMPOUNDS FOR THE TREATMENT OF CERTAIN CNS-RELATED DISORDERS CYP11B2, CYP1A2, INA CHRNB2 85/4885CHRNA4 146/4885ESR2 2686/4885
US-20070129312-A1 Convalent conjugates of biologically-active compounds with amino acids and amino acid derivatives for targeting to physiologically-protected sites SLC7A1, SLC1A1, DNPEP CHRNB2 1459/4885CHRNA4 959/4885ESR2 4568/4885

“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.