SCHEMBL769112

SCHEMBL769112

COC(CCC(=O)N(C)CCN1CCC(c2cccc(-c3ccccc3)c2NC(=O)O)CC1)OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
PRCP P42785 1/20 0.39
SLC2A1 P11166 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 8/20 0.37
POLB P06746 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
KCNH2 Q12809 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL768953 0.86 HRH3 (0.42) HRH3PRCPSLC2A1CHRM2CHRM3
SCHEMBL769138 0.85 HRH3 (0.41) HRH3PRCPCHRM2CHRM3POLB
SCHEMBL768533 0.85 HRH3 (0.41) HRH3PRCPSLC2A1CHRM2CHRM3
SCHEMBL767767 0.85 HRH3 (0.41) HRH3PRCPSLC2A1CHRM2CHRM3
Hydrochloric Acid SCHEMBL768805 0.84 CHRM3 (0.45) HRH3PRCPSLC2A1CHRM2CHRM3
SCHEMBL768640 0.84 CHRM3 (0.45) HRH3PRCPSLC2A1CHRM2CHRM3
SCHEMBL768619 0.83 HRH3 (0.40) HRH3PRCPSLC2A1CHRM2CHRM3
SCHEMBL768103 0.83 HRH3 (0.41) HRH3PRCPSLC2A1CHRM2CHRM3
SCHEMBL768735 0.82 HRH3 (0.40) HRH3CHRM2CHRM3POLBKDM4E
SCHEMBL769194 0.80 HRH3 (0.39) HRH3PRCPCHRM2CHRM3POLB

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 4419/4885SLC2A1 1942/4885

“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.