SCHEMBL14183166

SCHEMBL14183166

CC(C)(C)C[C@H]1CN(c2ccc(-n3ccnc3)c(F)c2)C(=O)O1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.48
MAOA P21397 9/20 0.48
CALML3 P27482 3/20 0.48
LMNA P02545 1/20 0.45
PTGS1 P23219 1/20 0.45
SDHA P31040 1/20 0.45
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL14564164 1.00 MAOB (0.48) MAOBMAOACALML3LMNAPTGS1
SCHEMBL14302608 0.87 MAOB (0.48) MAOBMAOACALML3LMNAPTGS1
SCHEMBL14574048 0.87 MAOB (0.48) MAOBMAOACALML3LMNAPTGS1
SCHEMBL8111357 0.87 CALML3 (0.64) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5832684 0.87 CALML3 (0.64) MAOBMAOACALML3LMNAPTGS1
SCHEMBL4013373 0.87 MAOB (0.50) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5832691 0.87 CALML3 (0.64) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5231103 0.83 MAOB (0.49) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7830574 0.83 MAOA (0.68) MAOBMAOACALML3LMNAPTGS1
SCHEMBL7830571 0.83 MAOA (0.68) MAOBMAOACALML3LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 US disclosed
US-7335753-B2 Bifunctional heterocyclic compounds and methods of making and using same RIB-X PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20070270357-A1 Bifunctional Macrolide Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. 2007-11-22 US disclosed
US-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. 2007-06-28 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 (3 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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC MAOB 1276/4885MAOA 999/4885CALML3 3775/4885
US-20070270357-A1 Bifunctional Macrolide Heterocyclic Compounds and Methods of Making and Using the Same PAICS, MAP2K4, GIPR MAOB 1137/4885MAOA 1209/4885CALML3 4616/4885
US-20070149463-A1 Bifunctional macrolide heterocyclic compounds and methods of making and using the same PAICS, MAP2K4, GIPR MAOB 1137/4885MAOA 1209/4885CALML3 4616/4885

“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.