SCHEMBL3166248

SCHEMBL3166248

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCCCF)cc3)c(F)c2)C(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.58
CALML3 P27482 7/20 0.55
MAOB P27338 2/20 0.55
LMNA P02545 1/20 0.55
PTGS1 P23219 1/20 0.55
SDHA P31040 1/20 0.55
F10 P00742 1/20 0.47

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
SCHEMBL3166255 1.00 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6024297 1.00 MAOA (0.58) MAOACALML3MAOBLMNAPTGS1
Hydrochloric Acid SCHEMBL30061895 0.99 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6022851 0.97 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6022852 0.97 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6023931 0.96 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6023927 0.96 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6024060 0.93 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6024062 0.93 MAOA (0.57) MAOACALML3MAOBLMNAPTGS1
SCHEMBL10197432 0.92 MAOA (0.61) MAOACALML3MAOBLMNAPTGS1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635307-B1 PHARMACEUTICAL COMPOSITIONS MELINTA SUBSIDIARY CORP (US) 2020-07-29 EP claimed
US-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics MELINTA SUBSIDIARY CORP. (US) 2024-07-16 US disclosed
EP-3442526-B1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP (US) 2023-01-04 EP disclosed
EP-2635307-B1 PHARMACEUTICAL COMPOSITIONS MELINTA SUBSIDIARY CORP (US) 2020-07-29 EP disclosed
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection MELINTA SUBSIDARY CORP. (US) 2019-11-12 US disclosed
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA SUBSIDIARY CORP. 2017-11-23 US disclosed
EP-3217974-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION Melinta Therapeutics, Inc. (US) 2017-09-20 EP disclosed
US-9409896-B2 Sustained release pharmaceutical compositions comprising an antibacterial agent MELINTA THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409896-B2 Sustained release pharmaceutical compositions comprising an antibacterial agent MELINTA THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016077818-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA THERAPEUTICS, INC. (US) 2016-05-19 WO disclosed
US-20070238719-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures RIB-X PHARMACEUTICALS, INC. 2007-10-11 US disclosed
US-20070238719-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures RIB-X PHARMACEUTICALS, INC. 2007-10-11 US disclosed
US-20070238720-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures RIB-X PHARMACEUTICALS, INC. 2007-10-11 US disclosed
US-7129259-B2 Halogenated biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2006-10-31 US disclosed
EP-1713785-A1 HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same CHEN SHILI 2006-07-06 US disclosed
EP-1660465-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES Rib-X Pharmaceuticals, Inc. (US) 2006-05-31 EP disclosed
US-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-07-14 US disclosed
WO-2005061468-A1 HALOGENATED BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-07-07 WO disclosed
WO-2005012271-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES RIB-X PHARMACEUTICALS, INC. (US) 2005-02-10 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 (7 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-20050153971-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PROKR1, PROKR2, PCNA MAOA 1365/4885CALML3 4062/4885MAOB 1682/4885
US-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics NCEH1, NRDC, LPL MAOA 1440/4885CALML3 4061/4885MAOB 981/4885
US-20060148869-A1 Halogenated biaryl heterocyclic compounds and methods of making and using the same PCNA, PROKR1, BCOR MAOA 1171/4885CALML3 4101/4885MAOB 1454/4885
US-20070238720-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures MMP8, CLPP, MASP2 MAOA 707/4885CALML3 1933/4885MAOB 838/4885
US-20070238719-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures MMP8, CLPP, MASP2 MAOA 707/4885CALML3 1933/4885MAOB 838/4885
US-20170333400-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CUTA, CYP19A1, KAT2A MAOA 379/4885CALML3 2223/4885MAOB 219/4885
US-10471046-B2 Method for treating, preventing, or reducing the risk of skin infection CUTA, CYP17A1, HSD17B11 MAOA 1569/4885CALML3 4401/4885MAOB 1093/4885

“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.