SCHEMBL4514741

SCHEMBL4514741

CC(C)(C)OC(=O)NCC1CN(Cc2ccccc2)CC1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 1/20 0.47
NPFFR2 Q9Y5X5 1/20 0.47
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 6/20 0.43
DRD4 P21917 4/20 0.43
DRD3 P35462 4/20 0.43
SIGMAR1 Q99720 3/20 0.43
NAMPT P43490 2/20 0.42
BCHE P06276 2/20 0.42
MAOB P27338 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL4514750 1.00 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL4520311 1.00 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL4514743 1.00 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL4520318 1.00 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL4642395 0.92 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL4642388 0.92 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL4640529 0.92 NPFFR1 (0.51) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL2088231 0.86 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL2866466 0.86 NPFFR1 (0.47) NPFFR1NPFFR2KMT2AL3MBTL1DRD2
SCHEMBL25080814 0.84 NAMPT (0.53) NPFFR1NPFFR2KMT2AL3MBTL1DRD2

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-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
EP-1255739-B1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2008-06-11 EP disclosed
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ZOETIS WLC LLC 2006-12-21 US disclosed
US-7094780-B1 3-aminoquinazolin-2,4-dione antibacterial agents WARNER LAMBERT COMPANY LLC (US) 2006-08-22 US disclosed
US-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ZOETIS WLC LLC 2006-08-17 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 (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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 NPFFR1 781/4885NPFFR2 828/4885KMT2A 1288/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS NPFFR1 785/4885NPFFR2 873/4885KMT2A 1212/4885

“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.