SCHEMBL17796972

SCHEMBL17796972

CC(C)N1CCC[C@H]1CN(C(=O)O)c1ccccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.54
GPR88 Q9GZN0 1/20 0.41
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
FFAR1 O14842 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 1/20 0.37
OPRD1 P41143 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
GHSR Q92847 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL17797012 0.85 CHRM3 (0.52) CHRM3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17797022 0.85 CHRM3 (0.52) CHRM3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17796981 0.84 CHRM3 (0.56) CHRM3GPR88KCNH2HRH3CHRNB2
SCHEMBL17796992 0.83 CHRM3 (0.53) CHRM3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17840162 0.78 CHRM3 (0.54) CHRM3HCRTR1HCRTR2
SCHEMBL17840164 0.78 CHRM3 (0.54) CHRM3HCRTR1HCRTR2
SCHEMBL17840986 0.78 CHRM3 (0.54) CHRM3KCNH2HRH3CHRNB2CHRNB4
SCHEMBL17840987 0.78 CHRM3 (0.54) CHRM3KCNH2HRH3CHRNB2CHRNB4
SCHEMBL17796997 0.76 CHRM3 (0.51) CHRM3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17797008 0.76 CHRM3 (0.51) CHRM3CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP claimed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US claimed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US claimed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 EP claimed
EP-3029026-B1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG A ST CO LTD (KR) 2018-12-05 EP disclosed
US-9828339-B2 Biphenyl derivatives and methods for preparing same DONG-A ST CO., LTD (KR) 2017-11-28 US disclosed
US-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME DONG-A ST CO., LTD (KR) 2016-06-23 US disclosed
EP-3029026-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME Dong-A ST Co., Ltd. (KR) 2016-06-08 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-20160176816-A1 NOVEL BIPHENYL DERIVATIVE AND METHOD FOR PREPARING SAME CHRM2, CHRM3, CHRM5 CHRM3 2/4885GPR88 137/4885KCNH2 1124/4885

“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.