SCHEMBL2311068

SCHEMBL2311068

CN(C)C1(CC#N)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL6138314 0.90
SCHEMBL24996651 0.74 CYP2D6 (0.40) LMNAKDM4E
SCHEMBL5024507 0.72 LMNA (0.37) LMNAOPRM1OPRD1
Water SCHEMBL26669930 0.70 LMNA (0.44) LMNAKDM4EOPRM1OPRD1
SCHEMBL5017464 0.70 LMNA (0.40) LMNAKDM4EOPRM1OPRD1
SCHEMBL24995118 0.70
SCHEMBL20781995 0.69 OPRM1 (0.33) KDM4EOPRM1
SCHEMBL10078986 0.69 LMNA (0.42) LMNAKDM4EOPRM1OPRD1
SCHEMBL2836174 0.67 LMNA (0.37) LMNAOPRM1OPRD1
SCHEMBL21676671 0.67 LMNA (0.41) LMNAKDM4EOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
EP-1846366-B1 NORVALINE DERIVATIVE AND METHOD FOR PREPARATION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-03 EP disclosed
US-7718703-B2 Norvaline derivative and method for preparation thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-18 US disclosed
US-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-03-27 US 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-20080076769-A1 Norvaline Derivative and Method for Preparation Thereof SLC38A7, SLC7A1, SLC6A7 LMNA 3935/4885KDM4E 4063/4885OPRM1 250/4885

“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.