SCHEMBL6885771

SCHEMBL6885771

C[C@H](NC(=O)[C@]1(C)NC(=O)CCC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.44
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.40
CMA1 P23946 1/20 0.39
XIAP P98170 2/20 0.39

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
SCHEMBL366333 0.86 TACR1 (0.51) TACR1MAPTCMA1
SCHEMBL8205946 0.85 ACE (0.50) OPRM1CMA1XIAP
SCHEMBL7641458 0.82 XIAP (0.44) OPRM1CMA1XIAP
SCHEMBL2029990 0.81 TACR1 (0.52) TACR1MAPTOPRM1
SCHEMBL6044127 0.80 TACR1 (0.49) TACR1
SCHEMBL5062693 0.79 TACR1 (0.43) TACR1OPRM1CMA1XIAP
SCHEMBL1078320 0.78 TACR1 (0.42) TACR1
SCHEMBL3513112 0.78 FKBP4 (0.44) TACR1MAPTCMA1
SCHEMBL3314831 0.77 TACR1 (0.41) TACR1MAPT
SCHEMBL1527424 0.76 TACR1 (0.44) TACR1OPRM1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713416-B2 POROSITY STRUCTURE; WATER IN OIL MICROEMULSION; MIXING SOLVENT AND SURFACTANT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2004-03-30 US disclosed
US-6660780-B2 Material that has been polymerized around molecules of an imprint compound in such a way that when the imprint group is removed from the material, cavities or \"imprinted sites\" remain in the material that are negative images of the imprint THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2003-12-09 US disclosed
US-20030191205-A1 MOLECULARLY-IMPRINTED MATERIAL MADE BY TEMPLATE-DIRECTED SYNTHESIS MARKOWITZ MICHAEL A (US) 2003-10-09 US disclosed
US-20030139483-A1 Molecularly-imprinted material made by template-directed synthesis NAVY, SECRETARY OF THE, THE UNITED STATES OF AMERICA AS, REPRESENTED BY THE 2003-07-24 US disclosed
US-6583191-B2 Combining surfactant coupled to imprint group with solvent to form a mixture and allowing surfactant to self-assemble; polymerizing monomer to form solid having a surface topography complementary to that of supramolecular structure UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2003-06-24 US disclosed
US-20020065334-A1 Molecularly-imprinted material made by template-directed synthesis UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2002-05-30 US disclosed
US-6310110-B1 COMBINING THE SURFACTANT COUPLED TO AN IMPRINT GROUP, COMBINING SURFACTANT WITH SOLVENT FOR SELF-ASSEMBLING OF SUPERMOLECULAR STRUCTURE, COMBINING IT WITH A REACTIVE MONOMER WHERE SUPERMOLECULE WORK AS TEMPLET FOR ORGNIZING USA AS REPRESENTED BY THE SECRETARY OF THE NAVY, THE 2001-10-30 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-20030139483-A1 Molecularly-imprinted material made by template-directed synthesis POLM, SGMS1, MSI2 TACR1 1753/4885MAPT 2122/4885OPRM1 457/4885

“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.