SCHEMBL12360010

SCHEMBL12360010

CCN(CC)C(=O)c1ccc([C@H](O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.54
OPRM1 P35372 1/20 0.54
ALDH1A1 P00352 4/20 0.50
HPGD P15428 6/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
GUSB P08236 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MLYCD O95822 1/20 0.44
ACP3 P15309 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL71266 1.00 OPRD1 (0.54) OPRD1OPRM1ALDH1A1HPGDKMT2A
SCHEMBL12360012 0.87 OPRD1 (0.53) OPRD1OPRM1ALDH1A1HPGDKMT2A
SCHEMBL1934353 0.87 OPRD1 (0.53) OPRD1OPRM1ALDH1A1HPGDKMT2A
SCHEMBL1142916 0.84 L3MBTL1 (0.52) ALDH1A1HPGDKMT2AMEN1L3MBTL1
SCHEMBL6936409 0.81 OPRD1 (0.52) OPRD1OPRM1ALDH1A1HPGDMAPT
SCHEMBL3107154 0.81 OPRD1 (0.51) OPRD1OPRM1ALDH1A1HPGDMAPT
SCHEMBL11362571 0.80 OPRM1 (0.65) OPRD1OPRM1ALDH1A1HPGDKMT2A
SCHEMBL4576604 0.80 ALDH1A1 (0.65) OPRD1OPRM1ALDH1A1HPGDL3MBTL1
SCHEMBL8527824 0.80 HPGD (0.58) OPRD1OPRM1ALDH1A1HPGDKMT2A
SCHEMBL4830938 0.80 HPGD (0.54) OPRD1OPRM1ALDH1A1HPGDL3MBTL1

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-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH ASTRAZENECA AB (SE) 2011-08-25 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-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH VHL, TPMT, NNMT OPRD1 4300/4885OPRM1 3133/4885ALDH1A1 448/4885

“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.