SCHEMBL769193

SCHEMBL769193

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)COCCC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
DRD2 P14416 3/20 0.39
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 5/20 0.38
OPRD1 P41143 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.37
SLC22A1 O15245 1/20 0.37
NR1I2 O75469 1/20 0.37
ABCB1 P08183 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 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
SCHEMBL768734 0.90 POLB (0.43) POLBDRD2HTR1AHTR2AHTR7
SCHEMBL769137 0.88 OPRD1 (0.43) POLBDRD2OPRM1OPRD1SLC22A1
SCHEMBL768618 0.86 OPRM1 (0.41) POLBDRD2OPRM1OPRD1SLC22A1
SCHEMBL768952 0.80 OPRM1 (0.44) POLBDRD2OPRM1OPRD1SLC22A1
SCHEMBL381217 0.80 CHRM3 (0.61) CHRM2CHRM3
SCHEMBL769194 0.79 HRH3 (0.39) POLBALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL767766 0.79 OPRM1 (0.43) POLBOPRM1OPRD1OPRK1
SCHEMBL768532 0.79 OPRM1 (0.43) POLBOPRM1OPRD1OPRK1
SCHEMBL769111 0.79 OPRM1 (0.41) POLBDRD2HTR1AHTR2AHTR7
SCHEMBL768102 0.78 OPRM1 (0.41) OPRM1OPRD1KDM1A

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 POLB 4710/4885DRD2 294/4885HTR1A 626/4885

“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.