SCHEMBL17856291

SCHEMBL17856291

CCCOC(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.59
SOAT1 P35610 2/20 0.56
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 1/20 0.53
NPY1R P25929 1/20 0.53
NPY2R P49146 1/20 0.53

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
SCHEMBL6609768 0.91 CYP1A2 (0.63) CHRM3SOAT1CHRM2CHRM1ALDH1A1
SCHEMBL5475717 0.88 PTPN1 (0.62) CHRM3SOAT1CHRM2CHRM1L3MBTL1
SCHEMBL2070051 0.84 CHRM3 (0.49) CHRM3CHRM2CHRM1
SCHEMBL19713012 0.82 CHRM3 (0.54) CHRM3CHRM2CHRM1ALDH1A1NPY1R
SCHEMBL2092774 0.80 ALDH1A1 (0.57) CHRM3SOAT1CHRM2CHRM1HTT
SCHEMBL19713007 0.80 CHRM3 (0.52) CHRM3CHRM2CHRM1ALDH1A1NPY1R
SCHEMBL17847445 0.80 CHRM3 (0.55) CHRM3CHRM2CHRM1ALDH1A1NPY1R
SCHEMBL17847476 0.80 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL17847480 0.80 CHRM3 (0.55) CHRM3CHRM2CHRM1
SCHEMBL2070753 0.80 SMN1; SMN2 (0.51) CHRM3HTTALDH1A1

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 2/4885SOAT1 1414/4885CHRM2 1/4885

“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.