SCHEMBL17840227

SCHEMBL17840227

CCN1CC[C@@H](c2ccccc2-c2ccccc2N(C)C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.40
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
DRD3 P35462 1/20 0.36
HTR6 P50406 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL17840333 1.00 CHRM3 (0.40) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL17840233 0.79 RAB9A (0.41) CHRM3
SCHEMBL10276962 0.69 HTR2C (0.47)
SCHEMBL17797033 0.68 CHRM3 (0.53) CHRM3
SCHEMBL17796984 0.68 CHRM3 (0.53) CHRM3
SCHEMBL11510751 0.68 PTGDR2 (0.44)
SCHEMBL3376493 0.67 DRD2 (0.47) CHRM3
SCHEMBL23374660 0.67 DRD2 (0.66) CYP3A4CYP1A2CYP2D6DRD3
SCHEMBL9912160 0.67 DRD2 (0.66) CYP3A4CYP1A2CYP2D6DRD3
SCHEMBL22307922 0.67 DRD2 (0.66) CYP3A4CYP1A2CYP2D6DRD3

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 2/4885CHRM2 1/4885CHRM4 4/4885

“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.