SCHEMBL3182755

SCHEMBL3182755

CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.47
USP30 Q70CQ3 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
GPR119 Q8TDV5 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
STS P08842 3/20 0.41
BRD3 Q15059 1/20 0.41

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
SCHEMBL3186914 0.88 PDK2 (0.56) PDK2USP30KMT2APTPN2PTPN1
SCHEMBL3179424 0.85 NPC1 (0.51) PDK2USP30KMT2APTPN2PTPN1
SCHEMBL3189609 0.84 USP30 (0.51) USP30KMT2AMEN1PTPN2PTPN1
SCHEMBL27730489 0.84 PDK2 (0.43) PDK2USP30KMT2AMEN1SMN1; SMN2
SCHEMBL3734439 0.83 PTPRB (0.55) USP30KMT2AMEN1GPR119STS
SCHEMBL27178814 0.81 PDK2 (0.54) PDK2USP30KMT2AMEN1PTPN2
SCHEMBL4875392 0.81 USP30 (0.47) USP30KMT2AMEN1NPC1
SCHEMBL3171133 0.78 PTPN2 (0.58) KMT2APTPN2PTPN1PTPN6GPR119
SCHEMBL18183705 0.78 PTPN2 (0.48) KMT2AMEN1PTPN2PTPN1PTPN6
SCHEMBL27178869 0.78 PDK2 (0.51) PDK2USP30KMT2APTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522669-A1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators Janssen Pharmaceutica NV (BE) 2012-11-14 EP disclosed
US-7655670-B2 1-((tetrahydropyran-2-yl)oxy-ethyl)-5-tert-butoxycarbonyl-spiro[indoline-3,4'-piperidin]-2-one; ORL-1 (orphan opioid receptor) G-protein coupled receptor; brain, psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
US-7655670-B2 1-((tetrahydropyran-2-yl)oxy-ethyl)-5-tert-butoxycarbonyl-spiro[indoline-3,4'-piperidin]-2-one; ORL-1 (orphan opioid receptor) G-protein coupled receptor; brain, psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
US-7655670-B2 1-((tetrahydropyran-2-yl)oxy-ethyl)-5-tert-butoxycarbonyl-spiro[indoline-3,4'-piperidin]-2-one; ORL-1 (orphan opioid receptor) G-protein coupled receptor; brain, psychological disorders JANSSEN PHARMACEUTICA N.V. (BE) 2010-02-02 US disclosed
EP-1890696-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-27 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-2006130416-A2 NOVEL 3-SPIROCYCLIC INDOLYL DERIVATIVES USEFUL AS ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-07 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 (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-20070112016-A1 Novel 3-spirocyclic indolyl derivatives useful as ORL-1 receptor modulators OXER1, OGFRL1, NR1H2 PDK2 1711/4885USP30 3051/4885KMT2A 4084/4885

“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.