SCHEMBL4514149

SCHEMBL4514149

CC=C1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 10/20 0.54
SIGMAR1 Q99720 10/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
GRM5 P41594 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC2 Q92769 1/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL4514146 1.00 TMEM97 (0.54) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL9218512 0.92 MEN1 (0.59) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5406156 0.87 TMEM97 (0.52) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL5406165 0.87 TMEM97 (0.52) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL13713171 0.86 MEN1 (0.53) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL10252734 0.85 TMEM97 (0.50) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL25937531 0.84 GRM5 (0.51) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL34474699 0.84 GRM5 (0.51) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL9572627 0.81 MEN1 (0.57) TMEM97SIGMAR1MEN1KMT2ANPSR1
SCHEMBL7311393 0.81 MEN1 (0.59) TMEM97SIGMAR1MEN1KMT2ANPSR1

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 TMEM97 821/4885SIGMAR1 274/4885MEN1 3683/4885
US-20060287308-A1 3-Aminoquinazolin-2,4-dione antibacterial agents ABL1, NQO2, AAAS TMEM97 836/4885SIGMAR1 272/4885MEN1 3666/4885

“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.