SCHEMBL767767

SCHEMBL767767

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
DRD2 P14416 2/20 0.40
NPC1 O15118 1/20 0.40
HTR1A P08908 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
PRCP P42785 1/20 0.39
SLC2A1 P11166 2/20 0.39
HTR7 P34969 2/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM3 P20309 11/20 0.38
CHRM2 P08172 1/20 0.37

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 1.00 HRH3 (0.41) HRH3DRD2NPC1HTR1AMTOR
SCHEMBL768953 0.99 HRH3 (0.42) HRH3DRD2NPC1HTR1AMTOR
SCHEMBL768640 0.93 CHRM3 (0.45) HRH3PRCPSLC2A1CHRM3CHRM2
Hydrochloric Acid SCHEMBL768805 0.93 CHRM3 (0.45) HRH3PRCPSLC2A1CHRM3CHRM2
SCHEMBL768103 0.92 HRH3 (0.41) HRH3DRD2NPC1HTR1AMTOR
SCHEMBL768619 0.91 HRH3 (0.40) HRH3DRD2NPC1HTR1AMTOR
SCHEMBL768743 0.89 HRH3 (0.37) HRH3PRCPSLC2A1CHRM3CHRM2
SCHEMBL768439 0.88 CHRM2 (0.39) HRH3SLC2A1CHRM3CHRM2
SCHEMBL768735 0.88 HRH3 (0.40) HRH3CHRM3CHRM2
SCHEMBL769138 0.88 HRH3 (0.41) HRH3DRD2PRCPHTR7HTR2A

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 96/4885DRD2 294/4885NPC1 1488/4885

“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.