SCHEMBL9890700

SCHEMBL9890700

COC(=O)C(O)c1ccccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
KMT2A Q03164 2/20 0.39
DHODH Q02127 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
BDKRB1 P46663 5/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 2/20 0.35

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
SCHEMBL9890687 0.82 SLC6A4 (0.55) CHRM3KMT2ASLC6A4SLC6A3MEN1
SCHEMBL9890656 0.82 CES2 (0.42) CHRM3KMT2AMEN1CES2CES1
SCHEMBL9890686 0.82 TUBB4A (0.44) CHRM3SLC6A4SLC6A3
SCHEMBL1901275 0.82 KMT2A (0.46) KMT2AMEN1ALDH1A1LMNA
SCHEMBL9890691 0.81 KCNA5 (0.46) CHRM3KMT2ASLC6A4SLC6A3ALDH1A1
SCHEMBL2395250 0.81 ALOX5AP (0.39) CHRM3CHRM2CHRM1CES2CES1
SCHEMBL9890699 0.79 CTSA (0.41) CHRM3KMT2ASLC6A4SLC6A3MEN1
SCHEMBL7522990 0.78 CES2 (0.56) KMT2AMEN1CES2CES1ALDH1A1
SCHEMBL8410789 0.78 CES2 (0.56) KMT2AMEN1CES2CES1ALDH1A1
SCHEMBL9890701 0.78 CHRM3 (0.44) CHRM3CHRM2CHRM1SLC6A4SLC6A3

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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CHRM3 298/4885CHRM2 159/4885CHRM1 340/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CHRM3 298/4885CHRM2 159/4885CHRM1 340/4885

“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.