SCHEMBL769194

SCHEMBL769194

CN(CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1)C(=O)COCCC=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
CHRM2 P08172 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM3 P20309 10/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
PRCP P42785 1/20 0.35
HRH1 P35367 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL768735 0.91 HRH3 (0.40) HRH3CHRM2POLBALDH1A1KDM4E
SCHEMBL769138 0.89 HRH3 (0.41) HRH3CHRM2POLBALDH1A1KDM4E
SCHEMBL768619 0.87 HRH3 (0.40) HRH3CHRM2ALDH1A1CHRM3MEN1
SCHEMBL768953 0.81 HRH3 (0.42) HRH3CHRM2ALDH1A1CHRM3MEN1
SCHEMBL767767 0.81 HRH3 (0.41) HRH3CHRM2CHRM3PRCP
SCHEMBL768533 0.81 HRH3 (0.41) HRH3CHRM2CHRM3PRCP
SCHEMBL768103 0.80 HRH3 (0.41) HRH3CHRM2CHRM3PRCP
SCHEMBL769112 0.80 HRH3 (0.40) HRH3CHRM2POLBALDH1A1KDM4E
SCHEMBL381217 0.80 CHRM3 (0.61) CHRM2CHRM3
SCHEMBL768640 0.79 CHRM3 (0.45) HRH3CHRM2CHRM3PRCP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 HRH3 96/4885CHRM2 2/4885POLB 4710/4885

“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.