SCHEMBL768953

SCHEMBL768953

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
PRCP P42785 1/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 1/20 0.38
HTR1A P08908 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
CHRM3 P20309 10/20 0.38
SLC2A1 P11166 2/20 0.38
CHRM2 P08172 1/20 0.38
KDM1A O60341 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 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
SCHEMBL768533 0.99 HRH3 (0.41) HRH3PRCPDRD2HTR2AHTR7
SCHEMBL767767 0.99 HRH3 (0.41) HRH3PRCPDRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL768805 0.92 CHRM3 (0.45) HRH3PRCPCHRM3SLC2A1CHRM2
SCHEMBL768640 0.92 CHRM3 (0.45) HRH3PRCPCHRM3SLC2A1CHRM2
SCHEMBL768619 0.91 HRH3 (0.40) HRH3PRCPDRD2HTR2AHTR7
SCHEMBL768103 0.91 HRH3 (0.41) HRH3PRCPDRD2HTR7NPC1
SCHEMBL768735 0.89 HRH3 (0.40) HRH3CHRM3CHRM2MEN1ALDH1A1
SCHEMBL769138 0.89 HRH3 (0.41) HRH3PRCPDRD2HTR2AHTR7
SCHEMBL768743 0.88 HRH3 (0.37) HRH3PRCPCHRM3SLC2A1CHRM2
SCHEMBL768439 0.88 CHRM2 (0.39) HRH3CHRM3SLC2A1CHRM2

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 96/4885PRCP 4419/4885DRD2 294/4885

“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.