SCHEMBL2226004

SCHEMBL2226004

CN1CCC(C#N)(c2coc(-c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.54
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CXCR1 P25024 1/20 0.36

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
SCHEMBL2223416 0.88 OPRM1 (0.40) OPRM1PDE4BPDE4DKDM4EALDH1A1
SCHEMBL2225282 0.78 SLC6A4 (0.38) OPRM1PDE4BHRH4KDM4ENPSR1
SCHEMBL2222948 0.76 OPRM1 (0.54) OPRM1HRH4KDM4EGAAMEN1
SCHEMBL5166604 0.72 OPRM1 (0.97) OPRM1KMT2A
SCHEMBL6884858 0.70 OPRM1 (0.52) OPRM1HRH4KMT2A
SCHEMBL6974144 0.67 OPRM1 (0.36) OPRM1PDE4BPDE4DHRH4
SCHEMBL2220914 0.66 SIGMAR1 (0.40) OPRM1CXCR1
SCHEMBL22630334 0.65 KDM4E (0.44) OPRM1HTTKDM4EALDH1A1GAA
SCHEMBL14672193 0.64 DRD2 (0.30)
SCHEMBL11092491 0.64 OPRM1 (0.60) OPRM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
EP-2533783-B1 COMPOUNDS AND METHODS for the inhibition of HDAC TEMPERO PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038534-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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-20150038534-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY OPRM1 356/4885PDE4B 1848/4885PDE4D 2252/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY OPRM1 356/4885PDE4B 1848/4885PDE4D 2252/4885

“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.