SCHEMBL4899261

SCHEMBL4899261

CC(=O)NCC1CN(c2ccc(C)cc2F)C(=O)O1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.65
MAOB P27338 4/20 0.65
PTGS1 P23219 2/20 0.65
SDHA P31040 2/20 0.65
LMNA P02545 1/20 0.65
CALML3 P27482 1/20 0.65
F10 P00742 4/20 0.48

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
SCHEMBL14069216 0.90 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL19941272 0.87 MAOA (0.63) MAOAMAOBPTGS1SDHALMNA
SCHEMBL3181066 0.85 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL9971463 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14270037 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL12967058 0.84 MAOA (0.62) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4901632 0.83 MAOB (0.61) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6058521 0.83 MAOB (0.85) MAOAMAOBPTGS1SDHALMNA
SCHEMBL16093305 0.83 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL14270221 0.83 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA

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 MAOA 2199/4885MAOB 1091/4885PTGS1 15/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 MAOA 2199/4885MAOB 1091/4885PTGS1 15/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC MAOA 2317/4885MAOB 2352/4885PTGS1 72/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 MAOA 2199/4885MAOB 1091/4885PTGS1 15/4885

“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.