SCHEMBL5992995

SCHEMBL5992995

CC(C)(C)OC(=O)N1CCC(NCc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.56
GPR119 Q8TDV5 3/20 0.51
KDM4E B2RXH2 2/20 0.49
PKM P14618 1/20 0.49
SFRP1 Q8N474 4/20 0.49
ALDH1A1 P00352 3/20 0.48
SIGMAR1 Q99720 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
STS P08842 1/20 0.47
SCN9A Q15858 1/20 0.46
CYP2C9 P11712 1/20 0.45
EPHX1 P07099 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL5758822 0.95 SCN9A (0.51) EPHX2GPR119KDM4EPKMSFRP1
SCHEMBL16269040 0.95 SCN9A (0.51) EPHX2GPR119KDM4EPKMSFRP1
SCHEMBL5666594 0.88 USP30 (0.51) EPHX2GPR119KDM4ESFRP1ALDH1A1
SCHEMBL2262205 0.87 EPHX2 (0.73) EPHX2CYP2C9
SCHEMBL5996315 0.86 EPHX2 (0.61) EPHX2GPR119ALDH1A1NPC1MAPT
SCHEMBL8647242 0.85 EPHX2 (0.48) EPHX2GPR119KDM4EPKMSFRP1
SCHEMBL8647244 0.85 EPHX2 (0.48) EPHX2GPR119KDM4EPKMSFRP1
SCHEMBL69077 0.85 KDM4E (0.50) EPHX2GPR119KDM4EPKMALDH1A1
SCHEMBL69764 0.85 MAPT (0.54) EPHX2GPR119KDM4EPKMALDH1A1
SCHEMBL31184445 0.85 KDM4E (0.53) GPR119KDM4EPKMALDH1A1NPC1

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
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 WO disclosed
US-20060079554-A1 Inhibitors of monomine uptake ELI LILLY AND COMPANY 2006-04-13 US disclosed
EP-1569905-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-09-07 EP disclosed
WO-2004052858-A2 INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2004-06-24 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 EPHX2 2702/4885GPR119 69/4885KDM4E 4180/4885
US-20060079554-A1 Inhibitors of monomine uptake SLC6A2, SLC18A2, SLC6A3 EPHX2 3350/4885GPR119 178/4885KDM4E 4112/4885

“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.