SCHEMBL4508281

SCHEMBL4508281

CC(C)(C)OC(=O)NCC1(Cc2ccccc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 14/20 0.57
NPFFR2 Q9Y5X5 14/20 0.57
OPRK1 P41145 1/20 0.52
SIGMAR1 Q99720 3/20 0.45
ALDH1A1 P00352 1/20 0.45
IDO1 P14902 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 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
SCHEMBL4502727 0.89 NPFFR1 (0.56) NPFFR1NPFFR2OPRK1SIGMAR1ALDH1A1
SCHEMBL6635524 0.87 NPFFR1 (0.62) NPFFR1NPFFR2OPRK1SIGMAR1IDO1
SCHEMBL16926455 0.85 NPFFR1 (0.60) NPFFR1NPFFR2OPRK1SIGMAR1ALDH1A1
SCHEMBL23268368 0.84 NPFFR1 (0.59) NPFFR1NPFFR2SIGMAR1ALDH1A1IDO1
SCHEMBL4511211 0.84 NPFFR1 (0.59) NPFFR1NPFFR2SIGMAR1ALDH1A1IDO1
SCHEMBL2281940 0.84 NPFFR1 (0.59) NPFFR1NPFFR2SIGMAR1ALDH1A1IDO1
SCHEMBL19705065 0.83 NPFFR1 (0.49) NPFFR1NPFFR2SIGMAR1ALDH1A1
SCHEMBL4517495 0.83 NPFFR1 (0.57) NPFFR1NPFFR2SIGMAR1IDO1
SCHEMBL9181182 0.83 NPFFR1 (0.57) NPFFR1NPFFR2SIGMAR1ALDH1A1IDO1
SCHEMBL2348786 0.82 NPFFR1 (0.64) NPFFR1NPFFR2SIGMAR1IDO1

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 7 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
EP-1255739-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-11-13 EP disclosed
WO-2001053273-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 2001-07-26 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-20060183762-A1 3-AMINOQUINAZOLIN-2,4-DIONE ANTIBACTERIAL AGENTS ABL1, NQO2, CBR3 NPFFR1 781/4885NPFFR2 828/4885OPRK1 218/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS NPFFR1 785/4885NPFFR2 873/4885OPRK1 197/4885

“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.