SCHEMBL2214191

SCHEMBL2214191

CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(F)cn2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.46
RORC P51449 1/20 0.43
USP30 Q70CQ3 3/20 0.41
TACR1 P25103 2/20 0.41
TGFBR1 P36897 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
LIPE Q05469 1/20 0.37

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
SCHEMBL30693176 0.89 PDE4B (0.55) PDE4BRORCUSP30TACR1TGFBR1
SCHEMBL1972088 0.85 RORC (0.42) PDE4BRORCUSP30TGFBR1HDAC1
SCHEMBL20743115 0.83 ALOX5AP (0.45) RORCTGFBR1HDAC1HDAC2SMN1; SMN2
SCHEMBL15397589 0.83 FFAR1 (0.38) TACR1
SCHEMBL15397686 0.82 PDE4B (0.58) PDE4BRORCUSP30TACR1HDAC1
SCHEMBL1970572 0.82 PDE4B (0.58) PDE4BRORCUSP30TACR1HDAC1
SCHEMBL1972562 0.82 PDE4B (0.58) PDE4BRORCUSP30TACR1HDAC1
SCHEMBL14495289 0.82 PDE4B (0.58) PDE4BRORCUSP30TACR1HDAC1
SCHEMBL4004826 0.82 PDE4B (0.58) PDE4BRORCUSP30TACR1HDAC1
SCHEMBL5730196 0.82 PDE4B (0.58) PDE4BRORCUSP30TACR1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
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-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B PDE4B 3803/4885RORC 3261/4885USP30 4000/4885

“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.