SCHEMBL4156154

SCHEMBL4156154

CC(C)(C)OC(=O)N1C[C@H](C(=O)O)[C@@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.60
RORC P51449 1/20 0.47
TACR1 P25103 2/20 0.46
MC4R P32245 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL13365112 1.00 PDE4B (0.60) PDE4BRORCTACR1MC4RSLC6A2
SCHEMBL15397578 1.00 PDE4B (0.60) PDE4BRORCTACR1MC4RSLC6A2
SCHEMBL191321 1.00 PDE4B (0.60) PDE4BRORCTACR1MC4RSLC6A2
SCHEMBL191712 1.00 PDE4B (0.60) PDE4BRORCTACR1MC4RSLC6A2
SCHEMBL4159759 0.90 PDE4B (0.52) PDE4BRORCTACR1MC4RSLC6A2
SCHEMBL4141590 0.90 PDE4B (0.52) PDE4BRORCTACR1MC4RSLC6A2
SCHEMBL1972927 0.90 PDE4B (0.52) PDE4BRORCTACR1MC4RSLC6A2
SCHEMBL13365094 0.89 PDE4B (0.62) PDE4BRORCTACR1MC4RSLC6A2
SCHEMBL193015 0.88 PDE4B (0.72) PDE4BSLC6A2SLC6A4SLC6A3
SCHEMBL193014 0.88 PDE4B (0.72) PDE4BSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8470816-B2 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-25 US disclosed
US-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-06-18 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-20090156572-A1 Nitrogen-containing heterocyclic compound and use thereof NTSR2, NTSR1, HNMT PDE4B 3147/4885RORC 2859/4885TACR1 9/4885

“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.