SCHEMBL4901632

SCHEMBL4901632

Cc1ccc(N2CC(CO)OC2=O)c(F)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.61
MAOA P21397 5/20 0.61
CALML3 P27482 7/20 0.50
GRM2 Q14416 2/20 0.47
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SDHA P31040 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
SCHEMBL27832587 0.87 GRM2 (0.47) MAOBMAOACALML3GRM2LMNA
SCHEMBL2897920 0.84 CALML3 (0.50) MAOBMAOACALML3GRM2LMNA
SCHEMBL16685649 0.84 CALML3 (0.50) MAOBMAOACALML3GRM2LMNA
SCHEMBL4899261 0.83 MAOA (0.65) MAOBMAOACALML3LMNAPTGS1
SCHEMBL4578360 0.81 GRM2 (0.64) MAOBMAOACALML3GRM2
SCHEMBL5395257 0.79 MAOB (0.54) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5379631 0.78 CALML3 (0.55) MAOBMAOACALML3LMNAPTGS1
SCHEMBL5386457 0.78 MAOB (0.53) MAOBMAOACALML3LMNAPTGS1
SCHEMBL12728919 0.77 MAOA (0.70) MAOBMAOACALML3GRM2
SCHEMBL16809996 0.77 MAOA (0.70) MAOBMAOACALML3GRM2

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-1723159-B1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2019-06-12 EP disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
EP-1723159-A2 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2006-11-22 EP disclosed
WO-2005085266-A2 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-09-15 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 (4 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAOB 1091/4885MAOA 2199/4885CALML3 4273/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAOB 1091/4885MAOA 2199/4885CALML3 4273/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MAOB 2352/4885MAOA 2317/4885CALML3 2702/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAOB 1091/4885MAOA 2199/4885CALML3 4273/4885

“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.