SCHEMBL3392422

SCHEMBL3392422

O=C1CCCCC1(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
SLC6A4 P31645 2/20 0.41
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
OPRK1 P41145 1/20 0.41
LMNA P02545 1/20 0.41
OPRM1 P35372 1/20 0.41
CACNA1C Q13936 1/20 0.41
AKR1C1 Q04828 1/20 0.41
HDAC4 P56524 4/20 0.41
DPP4 P27487 1/20 0.37

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
SCHEMBL28167765 0.94 MEN1 (0.44) MEN1CYP2C9KMT2AGRIN1GRIN2A
SCHEMBL21452488 0.80 HDAC4 (0.49) MEN1CYP2C9KMT2AGRIN1GRIN2A
SCHEMBL21452022 0.78 CYP19A1 (0.40)
SCHEMBL21452416 0.78 SLC6A3 (0.44) SLC6A4OPRM1
SCHEMBL21452493 0.76 GRIN1 (0.46) MEN1KMT2AGRIN1GRIN2ASLC6A4
SCHEMBL21452525 0.76 PGR (0.40) SLC6A4
SCHEMBL1944655 0.76 MEN1 (0.45) MEN1CYP2C9KMT2AGRIN1GRIN2A
SCHEMBL15656775 0.74 HDAC4 (0.44) MEN1CYP2C9KMT2AGRIN1GRIN2A
SCHEMBL15659683 0.74 HDAC4 (0.44) MEN1CYP2C9KMT2AGRIN1GRIN2A
SCHEMBL5138601 0.74 MEN1 (0.42) MEN1CYP2C9KMT2ALMNAAKR1C1

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 8 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 claimed
US-7371829-B2 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LABORATORIES LIMITED (GB) 2008-05-13 US claimed
US-20030224447-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LABORATORIES LIMITED 2003-12-04 US claimed
EP-1333023-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites Randox Laboratories Ltd. (GB) 2003-08-06 EP claimed
EP-1333023-B1 Immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LAB LTD (GB) 2010-12-22 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-20030224447-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites RANDOX LABORATORIES LIMITED 2003-12-04 US disclosed
EP-1333023-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites Randox Laboratories Ltd. (GB) 2003-08-06 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 (1 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-20030224447-A1 Haptens, immunogens, antibodies and conjugates to ketamine and its metabolites HNMT, HLA-DRB1, HLA-A MEN1 4044/4885CYP2C9 660/4885KMT2A 127/4885

“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.