SCHEMBL14368653

SCHEMBL14368653

O=C(N[C@H]1CCCC[C@@H]1CO)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
EPHX2 P34913 1/20 0.46
CNR2 P34972 1/20 0.41
FABP7 O15540 2/20 0.40
FABP5 Q01469 2/20 0.40
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
OPRD1 P41143 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL6348276 0.88 KMT2A (0.49) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL10169311 0.88 KMT2A (0.49) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL31369639 0.86 KMT2A (0.53) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL31369977 0.86 KMT2A (0.53) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL10169075 0.86 KMT2A (0.49) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL6356022 0.86 KMT2A (0.49) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL6383724 0.84 KMT2A (0.50) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL2384012 0.84 KMT2A (0.50) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL12088709 0.84 KMT2A (0.50) KMT2AEPHX2CASP3
SCHEMBL119535 0.84 KMT2A (0.50) KMT2AEPHX2FABP7FABP5MDM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 KMT2A 3736/4885EPHX2 2383/4885CNR2 59/4885

“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.