SCHEMBL17840266

SCHEMBL17840266

Cc1cc(C)cc(-c2ccccc2N(CC2CCCN2C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL17840264 1.00 CHRM3 (0.46) CHRM3CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL17840312 0.92 CHRM3 (0.56) CHRM3
SCHEMBL17840337 0.92 CHRM3 (0.56) CHRM3
SCHEMBL17840310 0.92 CHRM3 (0.56) CHRM3
SCHEMBL17797022 0.90 CHRM3 (0.52) CHRM3CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL17797012 0.90 CHRM3 (0.52) CHRM3CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL17840273 0.88 CHRM3 (0.55) CHRM3
SCHEMBL17840272 0.88 CHRM3 (0.55) CHRM3
SCHEMBL17840190 0.87 CHRM3 (0.55) CHRM3
SCHEMBL17840193 0.87 CHRM3 (0.55) 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 2/4885CHRNB2 38/4885CHRNA5 21/4885

“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.