SCHEMBL4513757

SCHEMBL4513757

CC(=O)C1CN(Cc2ccccc2)CC1C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.51
S1PR1 P21453 2/20 0.51
FUCA1 P04066 2/20 0.50
RORC P51449 1/20 0.47
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
ACHE P22303 1/20 0.46
BRD4 O60885 2/20 0.46
GRIN2B Q13224 1/20 0.45
CYP2D6 P10635 1/20 0.44
MAPT P10636 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
SCHEMBL12930916 0.90 S1PR5 (0.57) S1PR5S1PR1FUCA1RORCGRIN2B
SCHEMBL25896427 0.89 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCUBE2M
SCHEMBL500364 0.89 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCUBE2M
SCHEMBL500367 0.89 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCUBE2M
SCHEMBL22435919 0.89 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCUBE2M
SCHEMBL23297889 0.89 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCUBE2M
SCHEMBL874162 0.89 S1PR5 (0.56) S1PR5S1PR1FUCA1RORCUBE2M
SCHEMBL15151079 0.88 S1PR5 (0.51) S1PR5S1PR1FUCA1RORCUBE2M
SCHEMBL15567084 0.88 S1PR5 (0.51) S1PR5S1PR1FUCA1RORCUBE2M
Hydrochloric Acid SCHEMBL15567085 0.88 S1PR5 (0.55) S1PR5S1PR1FUCA1RORCUBE2M

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 S1PR5 4490/4885S1PR1 4603/4885FUCA1 4845/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS S1PR5 4494/4885S1PR1 4588/4885FUCA1 4833/4885

“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.