SCHEMBL513971

SCHEMBL513971

CC(C)(C)N(C(=O)O)[C@]1(c2ccc(C#N)cc2)C[C@](C)(O)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
PGR P06401 6/20 0.36
TRPA1 O75762 1/20 0.35
CCR1 P32246 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34

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
SCHEMBL513972 1.00 HSD11B1 (0.36) HSD11B1PGRTRPA1CCR1OPRM1
SCHEMBL2508530 0.86 OPRL1 (0.42) HSD11B1PGRTRPA1OPRM1OPRL1
SCHEMBL2030849 0.84 OPRL1 (0.38) HSD11B1PGRTRPA1OPRM1OPRL1
SCHEMBL1352509 0.84 OPRL1 (0.39) HSD11B1PGRTRPA1CCR1OPRM1
SCHEMBL1351916 0.84 PGR (0.37) HSD11B1PGRTRPA1OPRM1OPRL1
SCHEMBL2051577 0.76 F11 (0.39)
SCHEMBL14915911 0.74
SCHEMBL514505 0.73 CES2 (0.34) OPRM1OPRL1
SCHEMBL1900125 0.70 CTSL (0.32) OPRM1OPRL1
SCHEMBL14876759 0.70 PGR (0.40) PGRCCR1OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2012-02-02 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-20120028918-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF MAKING SAME PIK3CA, G6PC1, PIK3C2B HSD11B1 778/4885PGR 1078/4885TRPA1 4858/4885

“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.