SCHEMBL3392049

SCHEMBL3392049

O=C(O)CN(C(=O)CBr)N1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 2/20 0.31
EYA2 O00167 1/20 0.31
APP P05067 1/20 0.31
ACE P12821 1/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
ADRA2A P08913 1/20 0.30
ALOX15 P16050 1/20 0.30
DRD1 P21728 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL2172604 0.83 KDM4E (0.33) KDM4EGAAHTT
SCHEMBL9067904 0.74 KMT2A (0.48) KDM4EGAAHTTLMNA
SCHEMBL11133634 0.71 GAA (0.34) GAAHTTTSHRLMNA
SCHEMBL10456662 0.71 NFKB1 (0.33)
Hydrochloric Acid SCHEMBL9812399 0.68 OPRM1 (0.31) TDP1EYA2APPACE
SCHEMBL18439047 0.67 ALDH1A1 (0.42) TDP1LMNACHRM2SLC6A2SLC6A3
Bromoacetic Acid SCHEMBL1064789 0.66 TSHR (0.48) TSHRLMNA
SCHEMBL31419341 0.66 BLM (0.33) BLMPMP22
SCHEMBL1769618 0.66 HTT (0.37) KDM4EGAAHTTLMNA
Edetic Acid SCHEMBL3846372 0.64 TDP1 (0.56) KDM4ETDP1EYA2APPACE

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333023-B1 Immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LAB LTD (GB) 2010-12-22 EP disclosed
US-20090280499-A1 METHOD AND KIT FOR DETECTING, OR DETERMINING 3,4- METHYLENEDIOXYMETHAMPHETAMINE RANDOX LABORATORIES LIMITED (GB) 2009-11-12 US disclosed
EP-1321772-B1 Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine RANDOX LAB LTD (GB) 2008-09-17 EP disclosed
US-7371829-B2 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LABORATORIES LIMITED (GB) 2008-05-13 US disclosed
US-7217802-B2 Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine RANDOX LABORATORIES LIMITED (IE) 2007-05-15 US disclosed
EP-1312923-B1 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs RANDOX LAB LTD (GB) 2007-03-28 EP disclosed
US-7109310-B2 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs RANDOX LABORATORIES, LTD. (IE) 2006-09-19 US disclosed
US-20040121400-A1 Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine NORTHERN BANK LIMITED (IE) 2004-06-24 US disclosed
US-20030224447-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LABORATORIES LIMITED 2003-12-04 US disclosed
US-20030170728-A1 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs RANDOX LABORATORIES LIMITED 2003-09-11 US disclosed
EP-1333023-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites Randox Laboratories Ltd. (GB) 2003-08-06 EP disclosed
EP-1321772-A1 Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine Randox Laboratories Ltd. (GB) 2003-06-25 EP disclosed
EP-1312923-A2 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs Randox Laboratories Ltd. (GB) 2003-05-21 EP 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 (4 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-20040121400-A1 Method and kit for detecting, or determining, 3,4-methylenedioxymethamphetamine KIT, PNMT, HNMT KDM4E 173/4885GAA 1375/4885HTT 265/4885
US-20090280499-A1 METHOD AND KIT FOR DETECTING, OR DETERMINING 3,4- METHYLENEDIOXYMETHAMPHETAMINE KIT, PNMT, HNMT KDM4E 189/4885GAA 1270/4885HTT 296/4885
US-20030170728-A1 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs OPRK1, KIT, OPRM1 KDM4E 731/4885GAA 2441/4885HTT 1341/4885
US-20030224447-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites HNMT, HLA-DRB1, HLA-A KDM4E 532/4885GAA 2296/4885HTT 112/4885

“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.