SCHEMBL4380010

SCHEMBL4380010

CC(C)(C)OC(=O)NC1CCCCC1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KCNA5 P22460 1/20 0.49
KLK7 P49862 6/20 0.48
KLK5 Q9Y337 5/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
PDE4B Q07343 1/20 0.46
MERTK Q12866 5/20 0.46
AXL P30530 4/20 0.46
MET P08581 1/20 0.46
TYRO3 Q06418 1/20 0.46
P2RX7 Q99572 1/20 0.46
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
TACR1 P25103 2/20 0.44

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
SCHEMBL14583914 1.00 KMT2A (0.51) KMT2AL3MBTL1KCNA5KLK7KLK5
SCHEMBL8280167 1.00 KMT2A (0.51) KMT2AL3MBTL1KCNA5KLK7KLK5
SCHEMBL1928743 1.00 KMT2A (0.51) KMT2AL3MBTL1KCNA5KLK7KLK5
SCHEMBL5645993 0.98 KMT2A (0.54) KMT2AL3MBTL1KCNA5KLK7KLK5
SCHEMBL5435734 0.98 KMT2A (0.54) KMT2AL3MBTL1KCNA5KLK7KLK5
SCHEMBL12734545 0.98 KMT2A (0.54) KMT2AL3MBTL1KCNA5KLK7KLK5
SCHEMBL4755871 0.93 KLK7 (0.50) KMT2AL3MBTL1KLK7KLK5PDE4B
SCHEMBL31470310 0.87 KMT2A (0.52) KMT2AL3MBTL1KLK7KLK5KDM1A
SCHEMBL24437025 0.86 AXL (0.43) KMT2AL3MBTL1KLK7KLK5MERTK
SCHEMBL30861499 0.86 CACNA1B (0.48) KMT2AL3MBTL1KLK7KLK5MERTK

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
EP-1306372-B1 HETEROCYCLE DERIVATIVES AND DRUGS NIPPON SHINYAKU CO LTD (JP) 2009-11-18 EP disclosed
EP-2035411-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. Astra Zeneca AB (SE) 2009-03-18 EP disclosed
WO-2007142583-A1 MUSCARINIC RECEPTOR AGONISTS THAT ARE EFFECTIVE IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA. ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
US-20070287695-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-6794389-B2 Quinazoline derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2004-09-21 US disclosed
US-20030119855-A1 Heterocycle derivatives and drugs NIPPON SHINYAKU CO., LTD. (JP) 2003-06-26 US disclosed
EP-1306372-A1 HETEROCYCLE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2003-05-02 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 (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-20070287695-A1 Novel Compounds OPRM1, OPRL1, OPRK1 KMT2A 2880/4885L3MBTL1 1464/4885KCNA5 166/4885
US-20030119855-A1 Heterocycle derivatives and drugs OPRL1, OPRK1, OPRD1 KMT2A 2295/4885L3MBTL1 3670/4885KCNA5 338/4885

“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.