SCHEMBL2498951

SCHEMBL2498951

N[C@@H](Cc1ccc(O)cc1)C(=O)C1NC(C(=O)O)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.46
SLC7A5 Q01650 1/20 0.44
OPRD1 P41143 8/20 0.40
OPRM1 P35372 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38

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
SCHEMBL9710472 0.93 HDAC8 (0.44) HDAC8SLC7A5
SCHEMBL1986119 0.83 OPRM1 (0.50) OPRD1OPRM1
SCHEMBL10914916 0.82 GAA (0.40)
SCHEMBL10490158 0.81 MAPT (0.45)
SCHEMBL156774 0.78 MAPT (0.55)
SCHEMBL30486022 0.78 MAPT (0.55)
SCHEMBL9410025 0.77 MAPT (0.42)
SCHEMBL9710474 0.77 HDAC8 (0.42) HDAC8SLC7A5
SCHEMBL28787105 0.75 MAPT (0.53)
SCHEMBL27398624 0.75 MAPT (0.53)

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-8030341-B2 Dual delta and mu opioid receptor antagonist; 3,6-Bis(Boc-Dmt-Tic-NH-methyl)-2(1H)-pyrazinone THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-10-04 US disclosed
US-20080269143-A1 Dmt-Derivative Compounds and Related Compositions and Methods of Use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, (US) 2008-10-30 US disclosed
WO-2007027628-A1 DMT-DERIVATIVE COMPOUNDS AND RELATED COMPOSITIONS AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-08 WO 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-20080269143-A1 Dmt-Derivative Compounds and Related Compositions and Methods of Use OPRM1, OPRD1, OPRK1 HDAC8 2980/4885SLC7A5 1747/4885OPRD1 2/4885

“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.