SCHEMBL5429191

SCHEMBL5429191

C=CCC1(C(=O)OCC)CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 4/20 0.45
RAB9A P51151 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.39
HSD11B1 P28845 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL550116 0.89 KMT2A (0.46) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL23298215 0.88 MMP2 (0.40) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL2635493 0.88 MMP2 (0.40) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL550598 0.87 KMT2A (0.49) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL2888789 0.87 L3MBTL1 (0.47) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL25897225 0.85 MMP2 (0.39) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL1951057 0.85 MMP2 (0.39) KMT2ANPC1MEN1RAB9AALDH1A1
SCHEMBL1281827 0.85 USP2 (0.39) KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL21749176 0.85 L3MBTL1 (0.46) KMT2ANPC1MEN1RAB9AL3MBTL1
SCHEMBL31297015 0.84 MMP2 (0.41) KMT2ANPC1MEN1RAB9AALDH1A1

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
US-20070275990-A1 Heterocyclic Spiro Compound ONO PHARMACEUTICAL CO., LTD. 2007-11-29 US disclosed
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
EP-1683797-A1 HETEROCYCLIC SPIRO COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 WO 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A KMT2A 2954/4885NPC1 2968/4885MEN1 3255/4885
US-20070275990-A1 Heterocyclic Spiro Compound NR3C2, CBR1, CBR3 KMT2A 2691/4885NPC1 539/4885MEN1 995/4885

“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.