SCHEMBL4483563

SCHEMBL4483563

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
PDE4B Q07343 1/20 0.45
MMP13 P45452 1/20 0.44
TACR3 P29371 1/20 0.44
ENPP2 Q13822 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
TACR1 P25103 3/20 0.43
POLB P06746 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
SCHEMBL4483556 1.00 RORC (0.49) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL4483553 1.00 RORC (0.49) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL4944424 1.00 RORC (0.49) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL27688526 1.00 RORC (0.49) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL16109014 0.90 ENPP2 (0.51) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL15141289 0.90 ENPP2 (0.51) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL14934468 0.90 ENPP2 (0.51) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL14610186 0.90 ENPP2 (0.51) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL16070094 0.88 RORC (0.55) RORCMEN1KMT2AHDAC1HDAC2
SCHEMBL3993928 0.88 RORC (0.55) RORCMEN1KMT2AHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
CN-1671662-A Piperidine derivatives, process for their preparation and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-09-21 CN disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 RORC 2424/4885MEN1 3581/4885KMT2A 642/4885
US-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 RORC 1418/4885MEN1 786/4885KMT2A 1384/4885

“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.