SCHEMBL3968036

SCHEMBL3968036

CC(C)(C)OC(=O)N1CCN(C2CCN(C3CCCCC3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.55
OGFRL1 Q5TC84 3/20 0.55
OPRD1 P41143 2/20 0.55
EPHX1 P07099 1/20 0.55
HPGD P15428 1/20 0.54
OPRK1 P41145 2/20 0.47
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
RECQL P46063 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL4383127 0.97 EPHX1 (0.57) OPRM1OGFRL1OPRD1EPHX1HPGD
SCHEMBL1971010 0.95 EPHX1 (0.55) OPRM1OGFRL1OPRD1EPHX1HPGD
SCHEMBL6135150 0.92 HPGD (0.56) OPRM1OGFRL1OPRD1EPHX1HPGD
SCHEMBL65017 0.92 HPGD (0.54) OPRM1OGFRL1OPRD1EPHX1HPGD
SCHEMBL1507159 0.91 HPGD (0.54) OPRM1OGFRL1OPRD1EPHX1HPGD
SCHEMBL63877 0.89 USP2 (0.53) EPHX1HPGDUSP2SMN1; SMN2RECQL
SCHEMBL600317 0.88 HPGD (0.54) OPRM1OGFRL1OPRD1EPHX1HPGD
SCHEMBL5514832 0.87 HPGD (0.65) OPRM1OGFRL1OPRD1EPHX1HPGD
SCHEMBL3160275 0.87 HPGD (0.65) OPRM1OGFRL1OPRD1EPHX1HPGD
SCHEMBL29035931 0.87 HPGD (0.59) OPRM1OGFRL1OPRD1EPHX1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (4 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS OPRM1 10/4885OGFRL1 306/4885OPRD1 109/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 OPRM1 3/4885OGFRL1 223/4885OPRD1 61/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS OPRM1 6/4885OGFRL1 344/4885OPRD1 63/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 OPRM1 3/4885OGFRL1 223/4885OPRD1 61/4885

“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.