SCHEMBL1794402

SCHEMBL1794402

C[Si](C)(C)CCOCn1ccnc1CN(Cc1nccn1COCC[Si](C)(C)C)C(=O)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 18/20 0.48
SIGMAR1 Q99720 18/20 0.48
HRH1 P35367 5/20 0.42
HRH2 P25021 4/20 0.42
HTR2C P28335 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
ADRA2A P08913 3/20 0.42
ADRA2B P18089 3/20 0.42
HTR1E P28566 3/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2B P41595 3/20 0.41
HTR1B P28222 2/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A4 P31645 1/20 0.41
CHRM5 P08912 2/20 0.40
ADRA1D P25100 2/20 0.40
CHRM4 P08173 1/20 0.40

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
SCHEMBL2694765 0.81 TMEM97 (0.50) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL1794950 0.78 SYK (0.37) HRH3
SCHEMBL1795626 0.77 OPRM1 (0.34) DRD3DRD1
SCHEMBL1796431 0.74 DGAT1 (0.36)
SCHEMBL31371636 0.73 TMEM97 (0.61) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL1796181 0.73 CXCR4 (0.38)
SCHEMBL31173403 0.72 TMEM97 (0.68) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL1027550 0.72 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH2HTR2C
SCHEMBL1793865 0.71 KMT2A (0.37) HRH3
SCHEMBL2277280 0.70 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822459-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-16 US disclosed
US-7951816-B2 Compound containing basic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 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 (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-20110142856-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF CXCR4, CCR5, CXCL12 TMEM97 948/4885SIGMAR1 737/4885HRH1 566/4885

“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.