SCHEMBL997541

SCHEMBL997541

O=C(O)CNC(=O)CBr.O=C1CCC(=O)N1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
ALDH1A1 P00352 3/20 0.33
EGLN1 Q9GZT9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
BBOX1 O75936 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 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
Bromoacetic Acid SCHEMBL1064789 0.81 TSHR (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1PKM
SCHEMBL21955962 0.80 ITGB1 (0.37) ITGB1ITGA5ALDH1A1EGLN1SMN1; SMN2
SCHEMBL2902587 0.79
SCHEMBL9689585 0.75 TSHR (0.43) ITGB1ITGA5ALDH1A1EGLN1KMT2A
Glycine SCHEMBL9555848 0.71 GLRA1 (0.46) ITGB1ITGA5ALDH1A1EGLN1KMT2A
SCHEMBL2760653 0.71 RECQL (0.31)
SCHEMBL2083155 0.71 L3MBTL1 (0.40) ALDH1A1KMT2AKDM4EMEN1MAPT
Succinic Acid SCHEMBL28916613 0.71 LMNA (0.45) ALDH1A1EGLN1KMT2AKDM4EMEN1
Succinic Acid SCHEMBL722926 0.71 LMNA (0.45) ALDH1A1EGLN1KMT2AKDM4EMEN1
SCHEMBL6738514 0.71 LMNA (0.39) SMN1; SMN2BBOX1KMT2AMEN1LMNA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112321443-A Dextropropoxyphene artificial hapten as well as preparation method and application thereof 广州万孚生物技术股份有限公司 2021-02-05 CN disclosed
WO-2014053603-A1 MORPHINE-6-GLUCURONIDE DERIVATIVES, IMMUNOGENS AND IMMUNOASSAY CISBIO BIOASSAYS (FR) 2014-04-10 WO disclosed
EP-1321466-B1 Haptens, immunogens, antibodies and conjugates for 2-oxo-3-hydroxy LSD RANDOX LAB LTD (GB) 2011-01-26 EP disclosed
EP-1333023-B1 Immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LAB LTD (GB) 2010-12-22 EP disclosed
EP-1323718-B1 Haptens, immunogens and antibodies to oxycodone and its metabolites RANDOX LAB LTD (GB) 2010-08-25 EP disclosed
EP-1732880-B1 ASSAYS FOR AMPHETAMINE AND METHAMPHETAMINE SIEMENS HEALTHCARE DIAGNOSTICS (US) 2010-08-18 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
EP-1732880-A4 ASSAYS FOR AMPHETAMINE AND METHAMPHETAMINE DADE BEHRING INC (US) 2008-05-14 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-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
US-20030157565-A1 Haptens, immunogens and antibodies to oxycodone and its metabolites RANDOX LABORATORIES LTD. (IE) 2003-08-21 US disclosed
EP-1333023-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites Randox Laboratories Ltd. (GB) 2003-08-06 EP disclosed
US-20030143655-A1 Haptens, immunogens, antibodies and conjugates to 2-oxo-3-hydroxy-LSD NORTHERN BANK LIMITED (IE) 2003-07-31 US disclosed
EP-1323718-A2 Haptens, immunogens and antibodies to oxycodone and its metabolites Randox Laboratories Ltd. (GB) 2003-07-02 EP disclosed
EP-1321466-A1 Haptens, immunogens, antibodies and conjugates for 2-oxo-3-hydroxy LSD Randox Laboratories Ltd. (GB) 2003-06-25 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 (6 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 ITGB1 3731/4885ITGA5 2304/4885ALDH1A1 1340/4885
US-20090280499-A1 METHOD AND KIT FOR DETECTING, OR DETERMINING 3,4- METHYLENEDIOXYMETHAMPHETAMINE KIT, PNMT, HNMT ITGB1 3733/4885ITGA5 1881/4885ALDH1A1 1525/4885
US-20030170728-A1 Method and kit for detecting, or determining the quantity of, metabolites of fentanyl and metabolites of fentanyl analogs OPRK1, KIT, OPRM1 ITGB1 2858/4885ITGA5 749/4885ALDH1A1 1151/4885
US-20030157565-A1 Haptens, immunogens and antibodies to oxycodone and its metabolites OPRK1, OPRD1, OPRM1 ITGB1 1424/4885ITGA5 1609/4885ALDH1A1 473/4885
US-20030143655-A1 Haptens, immunogens, antibodies and conjugates to 2-oxo-3-hydroxy-LSD HNMT, HRH4, HRH3 ITGB1 4550/4885ITGA5 3375/4885ALDH1A1 2079/4885
US-20030224447-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites HNMT, HLA-DRB1, HLA-A ITGB1 2601/4885ITGA5 1989/4885ALDH1A1 659/4885

“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.