SCHEMBL176947

SCHEMBL176947

c1ccc(CNCCOCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
DRD4 P21917 4/20 0.61
MAOA P21397 1/20 0.55
TSHR P16473 1/20 0.54
CHRM2 P08172 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
BCHE P06276 3/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
PPARG P37231 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL8760726 0.90 TSHR (0.61) DRD4TSHRGAADRD2DRD3
SCHEMBL15341674 0.89 MAOA (0.62) MEN1KMT2ATDP1DRD4MAOA
SCHEMBL10810933 0.88 DRD4 (0.50) MEN1KMT2ATDP1DRD4MAOA
SCHEMBL11179375 0.88 TDP1 (0.67) MEN1KMT2ATDP1DRD4MAOA
SCHEMBL893830 0.88 TDP1 (0.67) MEN1KMT2ATDP1DRD4MAOA
SCHEMBL7134228 0.88 TSHR (0.58) MEN1KMT2ATDP1DRD4TSHR
SCHEMBL5232965 0.82 TSHR (0.52) TSHRGAAADRA1DADRA1AADRA1B
SCHEMBL6342799 0.82 TSHR (0.52) DRD4TSHRGAAADRA1DADRA1A
SCHEMBL17177749 0.82 DRD4 (0.59) MEN1KMT2ATDP1DRD4MAOA
SCHEMBL7574369 0.82 DRD4 (0.59) MEN1KMT2ATDP1DRD4MAOA

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9427604-B2 Use of benzyloxy-ethylamine derivatives as a preservative, preservation method, and compositions L'OREAL (FR) 2016-08-30 US disclosed
US-9427604-B2 Use of benzyloxy-ethylamine derivatives as a preservative, preservation method, and compositions L'OREAL (FR) 2016-08-30 US disclosed
EP-2509570-B1 USE OF BENZYLOXY-ETHYLAMINE DERIVATIVES AS A PRESERVATIVE, PRESERVATION METHOD, AND COMPOSITIONS ORÉAL L (FR) 2015-10-07 EP disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20120269740-A1 USE OF BENZYLOXY-ETHYLAMINE DERIVATIVES AS A PRESERVATIVE, PRESERVATION METHOD, AND COMPOSITIONS L'OREAL (FR) 2012-10-25 US disclosed
US-20120269740-A1 USE OF BENZYLOXY-ETHYLAMINE DERIVATIVES AS A PRESERVATIVE, PRESERVATION METHOD, AND COMPOSITIONS L'OREAL (FR) 2012-10-25 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
EP-0429149-B1 Tricyclic pteridinones and a process for their preparation BERLEX LAB (US) 2000-01-05 EP disclosed
US-5854419-A Tricyclic pteridinones and a process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed
US-5602252-A Tricyclic pteridinones and a process for their preparation BERLEX LABORATORIES, INC. 1997-02-11 US disclosed
EP-0172632-B1 Benzopyrano[4,3,2-cd]indazole compounds, processes for their production and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1989-08-30 EP disclosed
US-4604390-A FUNGICIDES, ANTITUMOR AGENTS WARNER-LAMBERT COMPANY (US) 1986-08-05 US disclosed
EP-0172632-A1 Benzopyrano[4,3,2-cd]indazole compounds, processes for their production and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1986-02-26 EP 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 MEN1 4329/4885KMT2A 3898/4885TDP1 2061/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 MEN1 3531/4885KMT2A 3635/4885TDP1 1177/4885
US-20120269740-A1 USE OF BENZYLOXY-ETHYLAMINE DERIVATIVES AS A PRESERVATIVE, PRESERVATION METHOD, AND COMPOSITIONS H1-0, TET2, TYR MEN1 815/4885KMT2A 208/4885TDP1 286/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A MEN1 2751/4885KMT2A 4186/4885TDP1 908/4885

“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.