SCHEMBL768735

SCHEMBL768735

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
CHRM3 P20309 9/20 0.38
POLB P06746 2/20 0.38
CHRM2 P08172 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 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
SCHEMBL769194 0.91 HRH3 (0.39) HRH3MEN1KMT2AALDH1A1MAPK1
SCHEMBL768953 0.89 HRH3 (0.42) HRH3MEN1KMT2AALDH1A1MAPK1
SCHEMBL767767 0.88 HRH3 (0.41) HRH3CHRM3CHRM2
SCHEMBL768533 0.88 HRH3 (0.41) HRH3CHRM3CHRM2
SCHEMBL768640 0.83 CHRM3 (0.45) HRH3CHRM3CHRM2
Hydrochloric Acid SCHEMBL768805 0.83 CHRM3 (0.45) HRH3CHRM3CHRM2
SCHEMBL769138 0.83 HRH3 (0.41) HRH3MEN1KMT2AALDH1A1CHRM3
SCHEMBL769112 0.82 HRH3 (0.40) HRH3ALDH1A1CHRM3POLBCHRM2
SCHEMBL768103 0.82 HRH3 (0.41) HRH3CHRM3CHRM2
SCHEMBL768619 0.82 HRH3 (0.40) HRH3MEN1KMT2AALDH1A1MAPK1

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 96/4885MEN1 1905/4885KMT2A 211/4885

“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.