SCHEMBL3182707

SCHEMBL3182707

CC(C)(C)OC(=O)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2Br)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 2/20 0.60
PTPN11 Q06124 1/20 0.60
STS P08842 3/20 0.53
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
GPR119 Q8TDV5 3/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL3734439 0.89 PTPRB (0.55) PTPRBPTPN11STSJAK2JAK1
SCHEMBL3731711 0.88 JAK2 (0.49) PTPRBPTPN11STSJAK2JAK1
SCHEMBL4980326 0.86 PTPRB (0.54) PTPRBPTPN11STSJAK2JAK1
SCHEMBL3182432 0.85 PTPRB (0.50) PTPRBPTPN11STSGPR119KDM4E
SCHEMBL17113510 0.85 PKM (0.46) PTPRBPTPN11KDM4EPKMMEN1
SCHEMBL27730485 0.84 PTPRB (0.43) PTPRBPTPN11STSJAK2JAK1
SCHEMBL3189570 0.84 PTPRB (0.49) PTPRBPTPN11STSGPR119KDM4E
SCHEMBL4669079 0.84 POLB (0.44) PTPRBPTPN11KDM4EPKMMEN1
SCHEMBL5578788 0.84 PTPRB (0.56) PTPRBPTPN11STSJAK2JAK1
SCHEMBL13041438 0.83 LMNA (0.42) PTPRBPTPN11KDM4EPKMMEN1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122739-B1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2019-01-16 EP disclosed
EP-3122739-B1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2019-01-16 EP disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-9926319-B2 Pyridyl piperidines MERCK PATENT GMBH (DE) 2018-03-27 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
US-20170107222-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2017-04-20 US disclosed
EP-3122739-A1 PYRIDYL PIPERIDINES Merck Patent GmbH (DE) 2017-02-01 EP disclosed
WO-2015144290-A1 PYRIDYL PIPERIDINES MERCK PATENT GMBH (DE) 2015-10-01 WO disclosed
US-8883816-B2 Fused and spirocycle compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-11-11 US disclosed
EP-1909797-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-04-16 EP disclosed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US disclosed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US disclosed
US-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-17 US disclosed
WO-2007028638-A1 FUSED AND SPIROCYCLE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2007-03-15 WO disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 WO disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 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 (3 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-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators OXER1, OGFRL1, NR1H2 PTPRB 704/4885PTPN11 1332/4885STS 3856/4885
US-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 PTPRB 3466/4885PTPN11 4539/4885STS 4388/4885
US-20170107222-A1 PYRIDYL PIPERIDINES WNT1, CTNNB1, WNT3 PTPRB 2538/4885PTPN11 2962/4885STS 4503/4885

“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.