SCHEMBL10329433

SCHEMBL10329433

COc1ccc2c3c1OC1C(OC(=O)CCCN)C=C[C@H]4C(C2)N(C)CC[C@]314

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.73
OPRK1 P41145 11/20 0.73
OPRD1 P41143 6/20 0.73
MRGPRX2 Q96LB1 3/20 0.66
ADRB1 P08588 1/20 0.66
PDE4D Q08499 1/20 0.66
PDE3A Q14432 1/20 0.66

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
SCHEMBL29610430 0.96 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL22959877 0.96 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477727 0.94 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477477 0.92 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL7770909 0.92 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL7775794 0.92 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL2322859 0.92 OPRM1 (0.78) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL22959880 0.89 OPRM1 (0.66) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477203 0.88 OPRM1 (0.70) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL13250907 0.88 OPRM1 (0.84) OPRM1OPRK1OPRD1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222296-B2 Conjugates comprising a GABA- or glycine compound, pharmaceutical compositions and combinations thereof and their use in treating CNS disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-07-17 US disclosed
US-20090304584-A1 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AND THEIR USE IN TREATING CNS DISORDERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2009-12-10 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-20090304584-A1 CONJUGATES COMPRISING A GABA- OR GLYCINE COMPOUND, PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS THEREOF AND THEIR USE IN TREATING CNS DISORDERS GABBR1, GABBR2, GABRG3 OPRM1 149/4885OPRK1 94/4885OPRD1 161/4885

“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.