SCHEMBL17840265

SCHEMBL17840265

COc1ccc(-c2ccccc2)c(N(CCC2CCCN2C)C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.62
ACKR3 P25106 4/20 0.51
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL17840128 0.92 CHRM3 (0.59) CHRM3ACKR3CHRNB4CHRNA3KDM4E
SCHEMBL17840002 0.90 CHRM3 (0.59) CHRM3ACKR3KDM4EPOLBNPBWR1
SCHEMBL17797018 0.86 CHRM3 (0.54) CHRM3
SCHEMBL17840200 0.86 CHRM3 (0.60) CHRM3
SCHEMBL17840110 0.83 ACKR3 (0.49) CHRM3ACKR3CHRNB4CHRNA3KDM4E
SCHEMBL17840201 0.83 CHRM3 (0.52) CHRM3ACKR3
SCHEMBL17840050 0.83 CHRM3 (0.52) CHRM3ACKR3CHRNB4CHRNA3
SCHEMBL17840186 0.83 CHRM3 (0.55) CHRM3ACKR3CHRNB4CHRNA3
SCHEMBL17840185 0.83 CHRM3 (0.55) CHRM3ACKR3CHRNB4CHRNA3
SCHEMBL17840229 0.82 CHRM3 (0.61) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2/4885ACKR3 978/4885CHRNB4 14/4885

“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.