SCHEMBL1025817

SCHEMBL1025817

CC(C)(C)OC(=O)N1CCCC(N2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.54
HTR2A P28223 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
FPR2 P25090 1/20 0.50
USP30 Q70CQ3 2/20 0.47
PIK3CD O00329 1/20 0.47
PIK3R2 O00459 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PIK3R5 Q8WYR1 1/20 0.47
PIK3R3 Q92569 1/20 0.47
BRD4 O60885 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
HPGDS O60760 1/20 0.45
HCAR1 Q9BXC0 1/20 0.44
ACKR3 P25106 1/20 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
SCHEMBL24424726 0.93 L3MBTL1 (0.60) TMEM97HTR2ASIGMAR1L3MBTL1USP30
SCHEMBL4411954 0.93 L3MBTL1 (0.60) TMEM97HTR2ASIGMAR1L3MBTL1USP30
SCHEMBL4418493 0.93 L3MBTL1 (0.60) TMEM97HTR2ASIGMAR1L3MBTL1USP30
SCHEMBL6428238 0.87 L3MBTL1 (0.51) L3MBTL1FPR2USP30BRD4PRMT5
SCHEMBL30033266 0.87 L3MBTL1 (0.51) L3MBTL1FPR2USP30BRD4PRMT5
SCHEMBL31352046 0.85 L3MBTL1 (0.70) L3MBTL1FPR2GPR119MAPTKMT2A
SCHEMBL20986907 0.85 MAPT (0.47) TMEM97HTR2ASIGMAR1FPR2USP30
SCHEMBL20986909 0.85 MAPT (0.47) TMEM97HTR2ASIGMAR1FPR2USP30
SCHEMBL1029343 0.85 L3MBTL1 (0.70) L3MBTL1FPR2GPR119MAPTKMT2A
SCHEMBL31259859 0.84 MEN1 (0.54) TMEM97HTR2ASIGMAR1FPR2USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 TMEM97 2107/4885HTR2A 3335/4885SIGMAR1 3532/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 TMEM97 4359/4885HTR2A 2003/4885SIGMAR1 4091/4885

“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.