SCHEMBL4413170

SCHEMBL4413170

CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@H](c2ccc(F)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.50
RORC P51449 4/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TACR1 P25103 3/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
MMP13 P45452 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
USP7 Q93009 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
SCHEMBL3792361 1.00 PDE4B (0.50) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL4413164 1.00 PDE4B (0.50) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL3792362 1.00 PDE4B (0.50) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL1971427 1.00 PDE4B (0.50) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL14403373 0.91 TACR1 (0.53) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL4760975 0.91 TACR1 (0.53) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL3697373 0.91 TACR1 (0.53) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL951494 0.91 TACR1 (0.53) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL1751275 0.91 TACR1 (0.53) PDE4BRORCMEN1KMT2ATACR1
SCHEMBL951268 0.91 TACR1 (0.53) PDE4BRORCMEN1KMT2ATACR1

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 10 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-20090005355-A1 Piperidine Compound and Process for Preparing the Same TANABE SEIYAKU CO., LTD. (JP) 2009-01-01 US disclosed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
EP-1765780-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2007-03-28 EP disclosed
WO-2006004195-A1 PIPERIDINE COMPOUND AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 2006-01-12 WO 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 (2 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-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR PDE4B 1291/4885RORC 2372/4885MEN1 1884/4885
US-20090005355-A1 Piperidine Compound and Process for Preparing the Same AVPR1B, HRH4, PRLHR PDE4B 1656/4885RORC 2144/4885MEN1 2262/4885

“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.