SCHEMBL6188639

SCHEMBL6188639

CSCOc1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 18/20 0.63
SIGMAR1 Q99720 18/20 0.63
HRH2 P25021 4/20 0.56
HTR2C P28335 4/20 0.56
HRH1 P35367 4/20 0.56
HRH3 Q9Y5N1 4/20 0.56
ADRA2A P08913 3/20 0.56
ADRA2B P18089 3/20 0.56
HTR1E P28566 3/20 0.56
DRD3 P35462 2/20 0.56
HTR1A P08908 3/20 0.55
HTR2A P28223 3/20 0.55
HTR2B P41595 3/20 0.55
CHRM5 P08912 2/20 0.55
ADRA1D P25100 2/20 0.55
CHRM4 P08173 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
HTR5A P47898 1/20 0.55
HTR1B P28222 2/20 0.54

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
SCHEMBL24229547 0.90 TMEM97 (0.66) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL14477367 0.89 TMEM97 (0.66) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL6190050 0.87 TMEM97 (0.62) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL16173559 0.87 TMEM97 (0.62) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL6187231 0.85 TMEM97 (0.60) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL27538580 0.83 HRH3 (0.52) HRH3
SCHEMBL1299903 0.82 TMEM97 (0.70) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL30515329 0.82 TMEM97 (0.70) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL1300458 0.81 TMEM97 (0.60) TMEM97SIGMAR1HRH2HTR2CHRH1
SCHEMBL6189797 0.80 NR1H2 (0.63) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
CN-1305470-A Amidine compounds JAPAN TOBACCO INC (JP) 2001-07-25 CN disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 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-20040006099-A1 Amidine compounds F2, SERPINC1, F12 TMEM97 4208/4885SIGMAR1 1553/4885HRH2 85/4885

“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.