SCHEMBL17840255

SCHEMBL17840255

CN1CC[C@@H](CN(C(=O)O)c2ccccc2-c2ccc(F)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.53
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL17840257 1.00 CHRM3 (0.53) CHRM3CHRM5CHRM1CHRNB2CHRNB4
SCHEMBL17797008 0.92 CHRM3 (0.51) CHRM3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17796997 0.92 CHRM3 (0.51) CHRM3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17840209 0.90 CHRM3 (0.54) CHRM3
SCHEMBL17840210 0.90 CHRM3 (0.54) CHRM3
SCHEMBL17840313 0.90 CHRM3 (0.54) CHRM3
SCHEMBL17840263 0.89 CHRM3 (0.53) CHRM3
SCHEMBL17840115 0.89 CHRM3 (0.53) CHRM3
SCHEMBL17840117 0.89 CHRM3 (0.53) CHRM3
SCHEMBL17840329 0.88 CHRM3 (0.56) 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 2/4885CHRM5 3/4885CHRM1 5/4885

“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.