SCHEMBL10313331

SCHEMBL10313331

CCN(CC)C(=O)c1ccc(C(O)c2cccc(N=O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 13/20 0.46
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
OPRK1 P41145 1/20 0.44
MAPT P10636 1/20 0.44
OPRM1 P35372 4/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3107154 0.83 OPRD1 (0.51) OPRD1HPGDALDH1A1OPRK1MAPT
SCHEMBL6936409 0.83 OPRD1 (0.52) OPRD1HPGDALDH1A1OPRK1MAPT
SCHEMBL4576604 0.82 ALDH1A1 (0.65) OPRD1HPGDALDH1A1OPRK1MAPT
SCHEMBL8527824 0.82 HPGD (0.58) OPRD1HPGDALDH1A1OPRK1MAPT
SCHEMBL4830938 0.82 HPGD (0.54) OPRD1HPGDALDH1A1OPRK1MAPT
SCHEMBL13620473 0.82 OPRD1 (0.48) OPRD1HPGDALDH1A1OPRK1MAPT
SCHEMBL1989199 0.80 OPRD1 (0.63) OPRD1OPRM1
SCHEMBL14108185 0.79 OPRD1 (0.48) OPRD1HPGDALDH1A1OPRK1MAPT
SCHEMBL10313332 0.78 OPRD1 (0.74) OPRD1OPRK1OPRM1
SCHEMBL10313333 0.78 OPRD1 (0.74) OPRD1OPRK1OPRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178763-A1 Method of Treating Anxious Major Depressive Disorder FREY JOSEPH (US) 2012-07-12 US disclosed
US-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH ASTRAZENECA AB (SE) 2011-08-25 US disclosed
US-7960389-B2 4(phenyl-piperazinyl-methyl) benzamide derivatives and their use for the treatment of pain or gastrointestinal disorders ASTRAZENECA AB (SE) 2011-06-14 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 (2 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-20120178763-A1 Method of Treating Anxious Major Depressive Disorder DRD2, DRD4, HTR1D OPRD1 22/4885HPGD 730/4885ALDH1A1 174/4885
US-20110207745-A1 SOLID FORMS OF 4--N,N-DIETHYLBENZAMIDE, COMPOSITIONS THEREOF, AND USES THEREWITH VHL, TPMT, NNMT OPRD1 4300/4885HPGD 616/4885ALDH1A1 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.