SCHEMBL12487550

SCHEMBL12487550

CCCCC1(C(=O)OC)CN(Cc2ccccc2)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
CYP2D6 P10635 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
OPRM1 P35372 2/20 0.40
NR3C1 P04150 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21465773 0.89 CYP2D6 (0.46) ABL1RIN1CYP2D6ALDH1A1MEN1
SCHEMBL1618300 0.86 NR3C1 (0.48) CYP2D6ALDH1A1KMT2AOPRM1NR3C1
SCHEMBL2237372 0.81 NR3C1 (0.45) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15498515 0.79 LMNA (0.46) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL15710575 0.78 KDM4E (0.50) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11307926 0.76 GAA (0.48) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17239738 0.75 KDM4E (0.47) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5265862 0.74 CYP2D6 (0.44) CYP2D6ALDH1A1MEN1KMT2ANR3C1
SCHEMBL5265856 0.74 CYP2D6 (0.44) CYP2D6ALDH1A1MEN1KMT2ANR3C1
SCHEMBL4541512 0.74 KDM4E (0.46) CYP2D6ALDH1A1MEN1KMT2AL3MBTL1

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
US-10259796-B2 Oxaspiro[2.5]octane derivatives and analogs ZAFGEN, INC. (US) 2019-04-16 US disclosed
US-20180354924-A1 Oxaspiro[2.5]Octane Derivatives and Analogs ZAFGEN INC (US) 2018-12-13 US disclosed
EP-2683706-B1 OXASPIRO [2.5]OCTANE DERIVATIVES AND ANALOGS ZAFGEN INC (US) 2018-02-21 EP disclosed
US-20170044122-A1 Oxaspiro[2.5]Octane Derivatives and Analogs ZAFGEN, INC. (US) 2017-02-16 US disclosed
CN-103534244-B Oxaspiro [2.5] Octane derivatives and the like 扎夫根股份有限公司 2016-10-12 CN disclosed
CN-103534244-A Oxaspiro [2.5] octane derivatives and analogs ZAFGEN CORP 2014-01-22 CN disclosed
EP-2683706-A1 OXASPIRO [2.5]OCTANE DERIVATIVES AND ANALOGS Zafgen, Inc. (US) 2014-01-15 EP disclosed
WO-2012122264-A1 OXASPIRO [2.5] OCTANE DERIVATIVES AND ANALOGS ZAFGEN CORPORATION (US) 2012-09-13 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 (3 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-10259796-B2 Oxaspiro[2.5]octane derivatives and analogs OXER1, ACOX3, OXGR1 ABL1 4738/4885RIN1 4808/4885CYP2D6 354/4885
US-20170044122-A1 Oxaspiro[2.5]Octane Derivatives and Analogs OXER1, ACOX3, OXGR1 ABL1 4738/4885RIN1 4808/4885CYP2D6 354/4885
US-20180354924-A1 Oxaspiro[2.5]Octane Derivatives and Analogs OXER1, ACOX3, OXGR1 ABL1 4738/4885RIN1 4808/4885CYP2D6 354/4885

“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.