SCHEMBL5622583

SCHEMBL5622583

NCc1cn(-c2cc(F)c(N3CCOCC3)c(F)c2)nn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.51
MAOA P21397 6/20 0.47
RXRA P19793 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
MAOB P27338 3/20 0.43
KDM1A O60341 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
SIGMAR1 Q99720 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL5623093 0.88 NOTUM (0.50) NOTUMMAOARXRAGRIN1GRIN2B
SCHEMBL5622845 0.85 NOTUM (0.50) NOTUMMAOARXRAGRIN1GRIN2B
SCHEMBL5623115 0.84 NOTUM (0.51) NOTUMMAOARXRAGRIN1GRIN2B
SCHEMBL14527017 0.82 RXRA (0.39) NOTUMMAOARXRAGRIN1GRIN2B
SCHEMBL5622673 0.82 RXRA (0.39) NOTUMMAOARXRAGRIN1GRIN2B
SCHEMBL14527034 0.82 NOTUM (0.52) NOTUMMAOARXRAGRIN1GRIN2B
SCHEMBL14527036 0.82 NOTUM (0.49) NOTUMMAOARXRAGRIN1GRIN2B
SCHEMBL5622997 0.80 RXRA (0.45) MAOARXRAGRIN1GRIN2BMAOB
SCHEMBL5622623 0.80 NOTUM (0.52) NOTUMMAOARXRAGRIN1GRIN2B
SCHEMBL5624137 0.80 MAOA (0.44) NOTUMMAOARXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-20050209223-A1 Novel antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2005-09-22 US disclosed
US-6914058-B2 1-(p-(thiomorpholino)phenyl)-1,2,3-triazole derivatives DR. REDDY'S LABORATORIES, LIMITED (IN) 2005-07-05 US disclosed
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2005-05-26 US disclosed
EP-1467977-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. Dr. Reddy's Laboratories Ltd. (IN) 2004-10-20 EP disclosed
WO-2003059894-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. DR.REDDY'S LABORATORIES LTD. (IN) 2003-07-24 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 (2 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-20050209223-A1 Novel antibacterial compounds: process for their preparation and pharmaceutical compositions containing them CYP3A4, CYP3A43, CYP3A5 NOTUM 4524/4885MAOA 1001/4885RXRA 2590/4885
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP3A4, CYP3A43, CYP3A5 NOTUM 4524/4885MAOA 1001/4885RXRA 2590/4885

“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.