SCHEMBL3186189

SCHEMBL3186189

CC(C)c1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ABL1 P00519 1/20 0.49
RIN1 Q13671 1/20 0.49
GPR119 Q8TDV5 1/20 0.48
KMT2A Q03164 2/20 0.47
STS P08842 8/20 0.45
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.44
P2RX4 Q99571 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
SCHEMBL841859 0.92 PTPN2 (0.54) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL6108248 0.87 PTPN2 (0.56) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL4637230 0.87 ALDH1A1 (0.58) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL5579013 0.86 PTPN2 (0.59) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL27730479 0.85 KMT2A (0.44) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3171133 0.85 PTPN2 (0.58) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL860245 0.84 PTPN2 (0.57) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3171666 0.83 STS (0.56) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3179422 0.82 EPHX2 (0.58) PTPN2PTPN1PTPN6NPC1RAB9A
SCHEMBL3438844 0.82 PTPN2 (0.55) PTPN2PTPN1PTPN6NPC1RAB9A

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-B1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-28 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 PTPN2 1506/4885PTPN1 1131/4885PTPN6 1245/4885

“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.