SCHEMBL4513340

SCHEMBL4513340

CC(N)C1CCCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM4E B2RXH2 2/20 0.49
BCHE P06276 5/20 0.48
MAOB P27338 2/20 0.48
ACHE P22303 3/20 0.48
BACE1 P56817 2/20 0.48
HPGD P15428 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
SCHEMBL2676079 0.91 ACHE (0.54) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL2676077 0.91 ACHE (0.54) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL537414 0.91 ACHE (0.54) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL4884981 0.91 ACHE (0.54) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL10281961 0.88 CYP2D6 (0.60) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL13411424 0.88 CYP2D6 (0.60) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL19844795 0.88 CYP2D6 (0.60) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL9739998 0.85 ALDH1A1 (0.61) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL6657546 0.84 CYP2D6 (0.56) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL6665269 0.84 CYP2D6 (0.56) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C19

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 6 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
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 ALDH1A1 2259/4885CYP2D6 730/4885CYP1A2 689/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS ALDH1A1 2203/4885CYP2D6 694/4885CYP1A2 673/4885

“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.