SCHEMBL17840367

SCHEMBL17840367

CN1CCCC1CCN(C(=O)O)c1ccccc1-c1ccccc1N

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 12/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNA5 P30532 1/20 0.42
CHRNA7 P36544 1/20 0.42
ACKR3 P25106 2/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL17840086 0.88 CHRM3 (0.45) CHRM3CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL17797018 0.88 CHRM3 (0.54) CHRM3
SCHEMBL17840067 0.88 CHRM3 (0.59) CHRM3CHRNB2CHRNA4
SCHEMBL17840360 0.87 CHRM3 (0.55) CHRM3ACKR3
SCHEMBL17840208 0.87 CHRM3 (0.55) CHRM3CHRNB2CHRNA4CHRNA5CHRNA7
SCHEMBL17840212 0.85 CHRM3 (0.61) CHRM3
SCHEMBL17840096 0.84 CHRM3 (0.57) CHRM3ACKR3
SCHEMBL17840011 0.83 CHRM3 (0.59) CHRM3ACKR3
SCHEMBL17840323 0.83 CHRM3 (0.56) CHRM3
SCHEMBL17840336 0.83 CHRM3 (0.58) 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 38/4885CHRNA4 22/4885

“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.