SCHEMBL9890717

SCHEMBL9890717

CN(C)C(=O)Cc1ccccc1-c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.65
CHRM3 P20309 2/20 0.53
GRIN2B Q13224 3/20 0.43
GRIN1 Q05586 1/20 0.43
SLC6A9 P48067 1/20 0.43
NR4A2 P43354 1/20 0.43
AOC3 Q16853 2/20 0.42
MLNR O43193 1/20 0.42
CYP3A4 P08684 1/20 0.42
NUDT1 P36639 1/20 0.42
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
RORB Q92753 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
SCHEMBL9890715 0.84 CYP2C19 (0.49) CHRM1NR4A2
SCHEMBL8720333 0.83 KMT2A (0.51) CHRM1NR4A2
SCHEMBL9890642 0.82 CHRM1 (0.57) CHRM1CHRM3PTGER1PTGER4PTGER3
SCHEMBL2393760 0.81 CHRM1 (0.56) CHRM1CHRM3CYP3A4NUDT1PTGER1
SCHEMBL9890716 0.80 CHRM1 (0.62) CHRM1CHRM3NUDT1PTGER1PTGER4
SCHEMBL9289984 0.78 CHRM1 (0.49) CHRM1CHRM3PTGER1PTGER4PTGER3
SCHEMBL6048536 0.77 TAAR1 (0.57) CHRM1CHRM3CYP3A4
Hydrochloric Acid SCHEMBL6048525 0.76 TAAR1 (0.55) CHRM1CHRM3CYP3A4
SCHEMBL9890721 0.75 MLNR (0.47) CHRM1MLNRCYP3A4
SCHEMBL11331947 0.73 SIGMAR1 (0.51) NR4A2AOC3

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 CHRM1 340/4885CHRM3 298/4885GRIN2B 917/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 CHRM1 340/4885CHRM3 298/4885GRIN2B 917/4885

“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.